(3Z)-hepta-1,3-dien-4-ol

C7H12O — CID 23128228

IUPAC(3Z)-hepta-1,3-dien-4-ol
SMILESC=C/C=C(\O)CCC
InChIInChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5,8H,1,4,6H2,2H3/b7-5-
InChIKeyJSWXLHWRBBVWJF-ALCCZGGFSA-N
MW112.17 g/mol
LogP2.41
Rot. Bonds3

About (3Z)-hepta-1,3-dien-4-ol

(3Z)-hepta-1,3-dien-4-ol (PubChem CID 23128228) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3Z)-hepta-1,3-dien-4-ol.

Molecular Properties

Compound Name(3Z)-hepta-1,3-dien-4-ol
PubChem CID23128228
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3Z)-hepta-1,3-dien-4-ol
SMILESC=C/C=C(\O)CCC
InChIInChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5,8H,1,4,6H2,2H3/b7-5-
InChIKeyJSWXLHWRBBVWJF-ALCCZGGFSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-hepta-1,3-dien-4-ol?
The IUPAC name of (3Z)-hepta-1,3-dien-4-ol (CID 23128228) is (3Z)-hepta-1,3-dien-4-ol.
What is the SMILES notation for (3Z)-hepta-1,3-dien-4-ol?
The canonical SMILES for (3Z)-hepta-1,3-dien-4-ol is C=C/C=C(\O)CCC.
What is the InChIKey of (3Z)-hepta-1,3-dien-4-ol?
The InChIKey is JSWXLHWRBBVWJF-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5,8H,1,4,6H2,2H3/b7-5-.
What are the key properties of (3Z)-hepta-1,3-dien-4-ol?
(3Z)-hepta-1,3-dien-4-ol has a molecular weight of 112.17 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hepta-1,3-dien-4-ol is sourced from PubChem (CID 23128228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).