(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane

C12H16O2 — CID 14271784

IUPAC(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](Cc2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-12(2)13-9-11(14-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyAGUOSKXZXRZMLG-NSHDSACASA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds2

About (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane

(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 14271784) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
PubChem CID14271784
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](Cc2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-12(2)13-9-11(14-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyAGUOSKXZXRZMLG-NSHDSACASA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6R)-4-benzyl-6-(iodomethyl)-2,2-dimethyl-1,3-dioxane
CID 11727685
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
CID 177308908
(2S)-2-amino-2-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phenyl]acetic acid
CID 70475085
4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 69267121
methyl 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]benzenesulfonate
CID 172820946
(4R,6R)-6-benzyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 42600180
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
2-benzyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
CID 174604761
(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 157116282
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane (CID 14271784) is (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](Cc2ccccc2)O1.
What is the InChIKey of (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AGUOSKXZXRZMLG-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)13-9-11(14-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane?
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 14271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).