(E)-hept-2-ene-1,7-diol

C7H14O2 — CID 22245649

IUPAC(E)-hept-2-ene-1,7-diol
SMILESOC/C=C/CCCCO
InChIInChI=1S/C7H14O2/c8-6-4-2-1-3-5-7-9/h2,4,8-9H,1,3,5-7H2/b4-2+
InChIKeyXTOMPNQYJOGYGA-DUXPYHPUSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds5

About (E)-hept-2-ene-1,7-diol

(E)-hept-2-ene-1,7-diol (PubChem CID 22245649) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-hept-2-ene-1,7-diol.

Molecular Properties

Compound Name(E)-hept-2-ene-1,7-diol
PubChem CID22245649
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-hept-2-ene-1,7-diol
SMILESOC/C=C/CCCCO
InChIInChI=1S/C7H14O2/c8-6-4-2-1-3-5-7-9/h2,4,8-9H,1,3,5-7H2/b4-2+
InChIKeyXTOMPNQYJOGYGA-DUXPYHPUSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-hept-2-ene-1,7-diol?
The IUPAC name of (E)-hept-2-ene-1,7-diol (CID 22245649) is (E)-hept-2-ene-1,7-diol.
What is the SMILES notation for (E)-hept-2-ene-1,7-diol?
The canonical SMILES for (E)-hept-2-ene-1,7-diol is OC/C=C/CCCCO.
What is the InChIKey of (E)-hept-2-ene-1,7-diol?
The InChIKey is XTOMPNQYJOGYGA-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7-9/h2,4,8-9H,1,3,5-7H2/b4-2+.
What are the key properties of (E)-hept-2-ene-1,7-diol?
(E)-hept-2-ene-1,7-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-2-ene-1,7-diol is sourced from PubChem (CID 22245649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).