[(3S)-5,5-dimethyloxolan-3-yl]methanol

C7H14O2 — CID 10796767

IUPAC[(3S)-5,5-dimethyloxolan-3-yl]methanol
SMILESCC1(C)C[C@@H](CO)CO1
InChIInChI=1S/C7H14O2/c1-7(2)3-6(4-8)5-9-7/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCNVRALIOWLIHEP-LURJTMIESA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About [(3S)-5,5-dimethyloxolan-3-yl]methanol

[(3S)-5,5-dimethyloxolan-3-yl]methanol (PubChem CID 10796767) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(3S)-5,5-dimethyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-5,5-dimethyloxolan-3-yl]methanol
PubChem CID10796767
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(3S)-5,5-dimethyloxolan-3-yl]methanol
SMILESCC1(C)C[C@@H](CO)CO1
InChIInChI=1S/C7H14O2/c1-7(2)3-6(4-8)5-9-7/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCNVRALIOWLIHEP-LURJTMIESA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
2,2-dimethyl-4-(nitrosomethyl)oxolane
CID 163951788
4-(2,2-difluoropropyl)-2,2-dimethyloxolane
CID 143114832
(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol
CID 134969367
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
5-amino-2,2-dimethyloxan-4-ol
CID 123616838

Frequently Asked Questions

What is the IUPAC name of [(3S)-5,5-dimethyloxolan-3-yl]methanol?
The IUPAC name of [(3S)-5,5-dimethyloxolan-3-yl]methanol (CID 10796767) is [(3S)-5,5-dimethyloxolan-3-yl]methanol.
What is the SMILES notation for [(3S)-5,5-dimethyloxolan-3-yl]methanol?
The canonical SMILES for [(3S)-5,5-dimethyloxolan-3-yl]methanol is CC1(C)C[C@@H](CO)CO1.
What is the InChIKey of [(3S)-5,5-dimethyloxolan-3-yl]methanol?
The InChIKey is CNVRALIOWLIHEP-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)3-6(4-8)5-9-7/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of [(3S)-5,5-dimethyloxolan-3-yl]methanol?
[(3S)-5,5-dimethyloxolan-3-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5,5-dimethyloxolan-3-yl]methanol is sourced from PubChem (CID 10796767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).