5-Methylhexane-1,2-diol

C7H16O2 — CID 15270165

IUPAC5-methylhexane-1,2-diol
SMILESCC(C)CCC(CO)O
InChIInChI=1S/C7H16O2/c1-6(2)3-4-7(9)5-8/h6-9H,3-5H2,1-2H3
InChIKeyPTXXRZSKRORMHV-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.00
Rot. Bonds4

About 5-Methylhexane-1,2-diol

5-Methylhexane-1,2-diol (PubChem CID 15270165) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 5-methylhexane-1,2-diol.

Molecular Properties

Compound Name5-Methylhexane-1,2-diol
PubChem CID15270165
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name5-methylhexane-1,2-diol
SMILESCC(C)CCC(CO)O
InChIInChI=1S/C7H16O2/c1-6(2)3-4-7(9)5-8/h6-9H,3-5H2,1-2H3
InChIKeyPTXXRZSKRORMHV-UHFFFAOYSA-N
XLogP1.00
TPSA40.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity61

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2-hexanol
CID 12323
5-Methyl-1-hexanol
CID 12331
2,5-Dimethyl-1,2,6-hexanetriol
CID 256067
4-Methyl-2,3-pentanediol
CID 552109
2,5-Dimethyl-3,4-hexanediol
CID 552199
(3R,4R)-1,2-Diisopropylethanediol
CID 10796884
2-Pentanol, 1-methoxy-4-methyl-
CID 23405791
2-Methoxy-4-methylpentan-1-ol
CID 72450916
(2S,3R,5S,6R)-3,5-dimethylheptane-1,2,6-triol
CID 10487509
5-Methylhexane-2,4-diol
CID 4914394
(3S,4S)-2,5-Dimethylhexane-3,4-diol
CID 11205838
(2R,3R)-4-methylpentane-2,3-diol
CID 12547715

Frequently Asked Questions

What is the IUPAC name of 5-Methylhexane-1,2-diol?
The IUPAC name of 5-Methylhexane-1,2-diol (CID 15270165) is 5-methylhexane-1,2-diol.
What is the SMILES notation for 5-Methylhexane-1,2-diol?
The canonical SMILES for 5-Methylhexane-1,2-diol is CC(C)CCC(CO)O.
What is the InChIKey of 5-Methylhexane-1,2-diol?
The InChIKey is PTXXRZSKRORMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(2)3-4-7(9)5-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-Methylhexane-1,2-diol?
5-Methylhexane-1,2-diol has a molecular weight of 132.20 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methylhexane-1,2-diol is sourced from PubChem (CID 15270165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).