4-methylpent-2-ene-1,5-diol

C6H12O2 — CID 78100137

IUPAC4-methylpent-2-ene-1,5-diol
SMILESCC(C=CCO)CO
InChIInChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyQLZWQRFAAFMCBT-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.16
Rot. Bonds3

About 4-methylpent-2-ene-1,5-diol

4-methylpent-2-ene-1,5-diol (PubChem CID 78100137) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 4-methylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name4-methylpent-2-ene-1,5-diol
PubChem CID78100137
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name4-methylpent-2-ene-1,5-diol
SMILESCC(C=CCO)CO
InChIInChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyQLZWQRFAAFMCBT-UHFFFAOYSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.16
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

(Z)-2-methylhex-3-en-1-ol
CID 15174591
(E)-4-methylhex-2-en-1-ol
CID 12036147
(E)-4-methylpent-2-en-1-ol
CID 5362786
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
CID 5364412
(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
CID 25187324
(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
CID 131240966
2-ethenyl-2,5-dimethylhex-3-ene-1,6-diol
CID 57097818
(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
CID 11205834
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
5-methylhex-2-en-1-ol
CID 12538351
(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol
CID 5364411

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-2-ene-1,5-diol?
The IUPAC name of 4-methylpent-2-ene-1,5-diol (CID 78100137) is 4-methylpent-2-ene-1,5-diol.
What is the SMILES notation for 4-methylpent-2-ene-1,5-diol?
The canonical SMILES for 4-methylpent-2-ene-1,5-diol is CC(C=CCO)CO.
What is the InChIKey of 4-methylpent-2-ene-1,5-diol?
The InChIKey is QLZWQRFAAFMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-methylpent-2-ene-1,5-diol?
4-methylpent-2-ene-1,5-diol has a molecular weight of 116.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-2-ene-1,5-diol is sourced from PubChem (CID 78100137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).