(5Z)-hepta-1,5-dien-2-ol

C7H12O — CID 89297619

IUPAC(5Z)-hepta-1,5-dien-2-ol
SMILESC=C(O)CC/C=C\C
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4,8H,2,5-6H2,1H3/b4-3-
InChIKeyFLYWJWOPOVLGMQ-ARJAWSKDSA-N
MW112.17 g/mol
LogP2.41
Rot. Bonds3

About (5Z)-hepta-1,5-dien-2-ol

(5Z)-hepta-1,5-dien-2-ol (PubChem CID 89297619) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (5Z)-hepta-1,5-dien-2-ol.

Molecular Properties

Compound Name(5Z)-hepta-1,5-dien-2-ol
PubChem CID89297619
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(5Z)-hepta-1,5-dien-2-ol
SMILESC=C(O)CC/C=C\C
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4,8H,2,5-6H2,1H3/b4-3-
InChIKeyFLYWJWOPOVLGMQ-ARJAWSKDSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-hepta-1,5-dien-2-ol?
The IUPAC name of (5Z)-hepta-1,5-dien-2-ol (CID 89297619) is (5Z)-hepta-1,5-dien-2-ol.
What is the SMILES notation for (5Z)-hepta-1,5-dien-2-ol?
The canonical SMILES for (5Z)-hepta-1,5-dien-2-ol is C=C(O)CC/C=C\C.
What is the InChIKey of (5Z)-hepta-1,5-dien-2-ol?
The InChIKey is FLYWJWOPOVLGMQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4,8H,2,5-6H2,1H3/b4-3-.
What are the key properties of (5Z)-hepta-1,5-dien-2-ol?
(5Z)-hepta-1,5-dien-2-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 (5Z)-hepta-1,5-dien-2-ol is sourced from PubChem (CID 89297619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).