(6S)-6-methyloxan-2-ol

C6H12O2 — CID 10510840

IUPAC(6S)-6-methyloxan-2-ol
SMILESC[C@H]1CCCC(O)O1
InChIInChI=1S/C6H12O2/c1-5-3-2-4-6(7)8-5/h5-7H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyXCNWVNNDBZRDEA-ZBHICJROSA-N
MW116.16 g/mol
LogP0.89
Rot. Bonds

About (6S)-6-methyloxan-2-ol

(6S)-6-methyloxan-2-ol (PubChem CID 10510840) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (6S)-6-methyloxan-2-ol.

Molecular Properties

Compound Name(6S)-6-methyloxan-2-ol
PubChem CID10510840
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(6S)-6-methyloxan-2-ol
SMILESC[C@H]1CCCC(O)O1
InChIInChI=1S/C6H12O2/c1-5-3-2-4-6(7)8-5/h5-7H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyXCNWVNNDBZRDEA-ZBHICJROSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-6-methyloxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyloxan-2-ol?
The IUPAC name of (6S)-6-methyloxan-2-ol (CID 10510840) is (6S)-6-methyloxan-2-ol.
What is the SMILES notation for (6S)-6-methyloxan-2-ol?
The canonical SMILES for (6S)-6-methyloxan-2-ol is C[C@H]1CCCC(O)O1.
What is the InChIKey of (6S)-6-methyloxan-2-ol?
The InChIKey is XCNWVNNDBZRDEA-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-2-4-6(7)8-5/h5-7H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of (6S)-6-methyloxan-2-ol?
(6S)-6-methyloxan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyloxan-2-ol is sourced from PubChem (CID 10510840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).