2-methylhex-5-ene-2,4-diol

C7H14O2 — CID 102341043

IUPAC2-methylhex-5-ene-2,4-diol
SMILESC=CC(O)CC(C)(C)O
InChIInChI=1S/C7H14O2/c1-4-6(8)5-7(2,3)9/h4,6,8-9H,1,5H2,2-3H3
InChIKeyROTVOVGOKHKFNR-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.69
Rot. Bonds3

About 2-methylhex-5-ene-2,4-diol

2-methylhex-5-ene-2,4-diol (PubChem CID 102341043) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methylhex-5-ene-2,4-diol.

Molecular Properties

Compound Name2-methylhex-5-ene-2,4-diol
PubChem CID102341043
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methylhex-5-ene-2,4-diol
SMILESC=CC(O)CC(C)(C)O
InChIInChI=1S/C7H14O2/c1-4-6(8)5-7(2,3)9/h4,6,8-9H,1,5H2,2-3H3
InChIKeyROTVOVGOKHKFNR-UHFFFAOYSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-hexen-3-ol
CID 5314815
4-Methyl-5-hexen-2-ol
CID 543655
1-Hexen-3-ol, 4-methyl-
CID 12218386
(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
2-Methylpent-4-ene-1,3-diol
CID 13272624
(2S,4R)-4-methylhex-5-en-2-ol
CID 13280484
(2R,3S)-2-prop-2-enylbutane-1,3-diol
CID 13403948
(2S,4S)-hex-5-ene-2,4-diol
CID 13741521
4-Hydroxy-4-methyl-5-hexen-1-ol
CID 88639221
(3S,4R)-4-methylhex-5-ene-1,3-diol
CID 11957881
2,4-Dimethylpent-4-ene-1,3-diol
CID 13129933
3-Methylpent-4-ene-1,3-diol
CID 13868621

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-ene-2,4-diol?
The IUPAC name of 2-methylhex-5-ene-2,4-diol (CID 102341043) is 2-methylhex-5-ene-2,4-diol.
What is the SMILES notation for 2-methylhex-5-ene-2,4-diol?
The canonical SMILES for 2-methylhex-5-ene-2,4-diol is C=CC(O)CC(C)(C)O.
What is the InChIKey of 2-methylhex-5-ene-2,4-diol?
The InChIKey is ROTVOVGOKHKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(8)5-7(2,3)9/h4,6,8-9H,1,5H2,2-3H3.
What are the key properties of 2-methylhex-5-ene-2,4-diol?
2-methylhex-5-ene-2,4-diol has a molecular weight of 130.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-ene-2,4-diol is sourced from PubChem (CID 102341043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).