(4Z)-hepta-4,6-dien-1-ol

C7H12O — CID 5367329

IUPAC(4Z)-hepta-4,6-dien-1-ol
SMILESC=C/C=C\CCCO
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-4,8H,1,5-7H2/b4-3-
InChIKeyWNWNZFFQYAFLGP-ARJAWSKDSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds4

About (4Z)-hepta-4,6-dien-1-ol

(4Z)-hepta-4,6-dien-1-ol (PubChem CID 5367329) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (4Z)-hepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-hepta-4,6-dien-1-ol
PubChem CID5367329
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(4Z)-hepta-4,6-dien-1-ol
SMILESC=C/C=C\CCCO
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-4,8H,1,5-7H2/b4-3-
InChIKeyWNWNZFFQYAFLGP-ARJAWSKDSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-hepta-4,6-dien-1-ol?
The IUPAC name of (4Z)-hepta-4,6-dien-1-ol (CID 5367329) is (4Z)-hepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-hepta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-hepta-4,6-dien-1-ol is C=C/C=C\CCCO.
What is the InChIKey of (4Z)-hepta-4,6-dien-1-ol?
The InChIKey is WNWNZFFQYAFLGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-4,8H,1,5-7H2/b4-3-.
What are the key properties of (4Z)-hepta-4,6-dien-1-ol?
(4Z)-hepta-4,6-dien-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-hepta-4,6-dien-1-ol is sourced from PubChem (CID 5367329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).