[(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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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).