(Z)-4-methylpent-2-ene-1,4-diol

C6H12O2 — CID 13183211

IUPAC(Z)-4-methylpent-2-ene-1,4-diol
SMILESCC(C)(O)/C=C\CO
InChIInChI=1S/C6H12O2/c1-6(2,8)4-3-5-7/h3-4,7-8H,5H2,1-2H3/b4-3-
InChIKeySOKUNMXCTFSODA-ARJAWSKDSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds2

About (Z)-4-methylpent-2-ene-1,4-diol

(Z)-4-methylpent-2-ene-1,4-diol (PubChem CID 13183211) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-4-methylpent-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-4-methylpent-2-ene-1,4-diol
PubChem CID13183211
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(Z)-4-methylpent-2-ene-1,4-diol
SMILESCC(C)(O)/C=C\CO
InChIInChI=1S/C6H12O2/c1-6(2,8)4-3-5-7/h3-4,7-8H,5H2,1-2H3/b4-3-
InChIKeySOKUNMXCTFSODA-ARJAWSKDSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylpent-2-ene-1,4-diol?
The IUPAC name of (Z)-4-methylpent-2-ene-1,4-diol (CID 13183211) is (Z)-4-methylpent-2-ene-1,4-diol.
What is the SMILES notation for (Z)-4-methylpent-2-ene-1,4-diol?
The canonical SMILES for (Z)-4-methylpent-2-ene-1,4-diol is CC(C)(O)/C=C\CO.
What is the InChIKey of (Z)-4-methylpent-2-ene-1,4-diol?
The InChIKey is SOKUNMXCTFSODA-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2,8)4-3-5-7/h3-4,7-8H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-4-methylpent-2-ene-1,4-diol?
(Z)-4-methylpent-2-ene-1,4-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylpent-2-ene-1,4-diol is sourced from PubChem (CID 13183211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).