3-methyloxan-2-ol

C6H12O2 — CID 12724531

IUPAC3-methyloxan-2-ol
SMILESCC1CCCOC1O
InChIInChI=1S/C6H12O2/c1-5-3-2-4-8-6(5)7/h5-7H,2-4H2,1H3
InChIKeyJWGPMVVASPXRLV-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds

About 3-methyloxan-2-ol

3-methyloxan-2-ol (PubChem CID 12724531) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methyloxan-2-ol.

Molecular Properties

Compound Name3-methyloxan-2-ol
PubChem CID12724531
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methyloxan-2-ol
SMILESCC1CCCOC1O
InChIInChI=1S/C6H12O2/c1-5-3-2-4-8-6(5)7/h5-7H,2-4H2,1H3
InChIKeyJWGPMVVASPXRLV-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxytetrahydropyran
CID 136505
2-Hydroxytetrahydropyran, (2R)-
CID 643036
2-Hydroxy-4-methyltetrahydropyran
CID 11469063
Oxanol
CID 444163
3,5-Dimethyltetrahydro-2H-pyran-2-ol
CID 535881
Tetrahydro-2h-pyran-2,6-diol
CID 11040677
3,6-Dimethyloxan-2-ol
CID 58535481
3-(Trifluoromethyl)tetrahydro-2H-pyran-2-ol
CID 102459173
(3r)-3-Methyl-5-(tetrahydro-2h-pyran-2-yloxy)-pentan-1-ol
CID 12892311
4,6-Dimethyloxan-2-ol
CID 12740311
3-Ethyloxan-2-ol
CID 71327932
(4R,6S)-4,6-dimethyloxan-2-ol
CID 10034665

Frequently Asked Questions

What is the IUPAC name of 3-methyloxan-2-ol?
The IUPAC name of 3-methyloxan-2-ol (CID 12724531) is 3-methyloxan-2-ol.
What is the SMILES notation for 3-methyloxan-2-ol?
The canonical SMILES for 3-methyloxan-2-ol is CC1CCCOC1O.
What is the InChIKey of 3-methyloxan-2-ol?
The InChIKey is JWGPMVVASPXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-2-4-8-6(5)7/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyloxan-2-ol?
3-methyloxan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxan-2-ol is sourced from PubChem (CID 12724531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).