(E)-3-methylhex-4-ene-1,3-diol

C7H14O2 — CID 10534690

IUPAC(E)-3-methylhex-4-ene-1,3-diol
SMILESC/C=C/C(C)(O)CCO
InChIInChI=1S/C7H14O2/c1-3-4-7(2,9)5-6-8/h3-4,8-9H,5-6H2,1-2H3/b4-3+
InChIKeyYGGGRLBHULFVSA-ONEGZZNKSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds3

About (E)-3-methylhex-4-ene-1,3-diol

(E)-3-methylhex-4-ene-1,3-diol (PubChem CID 10534690) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-3-methylhex-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-3-methylhex-4-ene-1,3-diol
PubChem CID10534690
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-3-methylhex-4-ene-1,3-diol
SMILESC/C=C/C(C)(O)CCO
InChIInChI=1S/C7H14O2/c1-3-4-7(2,9)5-6-8/h3-4,8-9H,5-6H2,1-2H3/b4-3+
InChIKeyYGGGRLBHULFVSA-ONEGZZNKSA-N
XLogP0.70
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 ≤ 50.70
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 (E)-3-methylhex-4-ene-1,3-diol?
The IUPAC name of (E)-3-methylhex-4-ene-1,3-diol (CID 10534690) is (E)-3-methylhex-4-ene-1,3-diol.
What is the SMILES notation for (E)-3-methylhex-4-ene-1,3-diol?
The canonical SMILES for (E)-3-methylhex-4-ene-1,3-diol is C/C=C/C(C)(O)CCO.
What is the InChIKey of (E)-3-methylhex-4-ene-1,3-diol?
The InChIKey is YGGGRLBHULFVSA-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7(2,9)5-6-8/h3-4,8-9H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-3-methylhex-4-ene-1,3-diol?
(E)-3-methylhex-4-ene-1,3-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylhex-4-ene-1,3-diol is sourced from PubChem (CID 10534690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).