(R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde

Cat. No.: PI15186488

Product Details Other Identifiers Computed Properties

CAS	15186-48-8
Purity	95%
Molecular Formula	C6H10O3
Linear Formula	(CH3)2CO2C2H3COH
Molecular Weight	130.14
Molar Refractivity	31.25

Pubchem ID	259712
InChI Key	YSGPYVWACGYQDJ-YFKPBYRVSA-N
MDL Number	MFCD00269682

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	35.53 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.83
Log Po/w (iLOGP)	1.35
Log Po/w (XLOGP3)	-0.02
Log Po/w (WLOGP)	0.34
Log Po/w (MLOGP)	-0.41
Log Po/w (SILICOS-IT)	1.15
Consensus Log Po/w	0.48
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.11 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.62

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