3,6-dimethyloxan-2-ol

C7H14O2 — CID 58535481

IUPAC3,6-dimethyloxan-2-ol
SMILESCC1CCC(C)C(O)O1
InChIInChI=1S/C7H14O2/c1-5-3-4-6(2)9-7(5)8/h5-8H,3-4H2,1-2H3
InChIKeyNYXLQTGDRPKUNG-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds

About 3,6-dimethyloxan-2-ol

3,6-dimethyloxan-2-ol (PubChem CID 58535481) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3,6-dimethyloxan-2-ol.

Molecular Properties

Compound Name3,6-dimethyloxan-2-ol
PubChem CID58535481
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3,6-dimethyloxan-2-ol
SMILESCC1CCC(C)C(O)O1
InChIInChI=1S/C7H14O2/c1-5-3-4-6(2)9-7(5)8/h5-8H,3-4H2,1-2H3
InChIKeyNYXLQTGDRPKUNG-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S,6R)-3,5,6-trimethyloxan-2-ol
CID 10701940
methyl 2,4,6-trideoxy-2,4-di-C-methylgluohexopyranoside
CID 147963
3,5-Dimethyltetrahydro-2H-pyran-2-ol
CID 535881
(6S)-6-methyloxan-2-ol
CID 10510840
6-methyltetrahydro-2H-pyran-2-ol
CID 12663236
3-Methyloxan-2-ol
CID 12724531
(2R,6R)-6-Methyloxan-2-ol
CID 71354575
6-Hexyl-4-methyloxan-2-ol
CID 135070133
GlyTouCan:G39146KK
CID 11528347
6-Ethyl-2-hydroxytetrahydropyran
CID 12222759
4,6-Dimethyloxan-2-ol
CID 12740311
GlyTouCan:G68179FC
CID 15182350

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyloxan-2-ol?
The IUPAC name of 3,6-dimethyloxan-2-ol (CID 58535481) is 3,6-dimethyloxan-2-ol.
What is the SMILES notation for 3,6-dimethyloxan-2-ol?
The canonical SMILES for 3,6-dimethyloxan-2-ol is CC1CCC(C)C(O)O1.
What is the InChIKey of 3,6-dimethyloxan-2-ol?
The InChIKey is NYXLQTGDRPKUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-3-4-6(2)9-7(5)8/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyloxan-2-ol?
3,6-dimethyloxan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyloxan-2-ol is sourced from PubChem (CID 58535481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).