(Z)-hept-4-en-2-ol

C7H14O — CID 5352833

IUPAC(Z)-hept-4-en-2-ol
SMILESCC/C=C\CC(C)O
InChIInChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-
InChIKeyKZUFTCBJDQXWOJ-PLNGDYQASA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds3

About (Z)-hept-4-en-2-ol

(Z)-hept-4-en-2-ol (PubChem CID 5352833) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-hept-4-en-2-ol.

Molecular Properties

Compound Name(Z)-hept-4-en-2-ol
PubChem CID5352833
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(Z)-hept-4-en-2-ol
SMILESCC/C=C\CC(C)O
InChIInChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-
InChIKeyKZUFTCBJDQXWOJ-PLNGDYQASA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-hept-4-en-2-ol?
The IUPAC name of (Z)-hept-4-en-2-ol (CID 5352833) is (Z)-hept-4-en-2-ol.
What is the SMILES notation for (Z)-hept-4-en-2-ol?
The canonical SMILES for (Z)-hept-4-en-2-ol is CC/C=C\CC(C)O.
What is the InChIKey of (Z)-hept-4-en-2-ol?
The InChIKey is KZUFTCBJDQXWOJ-PLNGDYQASA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-hept-4-en-2-ol?
(Z)-hept-4-en-2-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-4-en-2-ol is sourced from PubChem (CID 5352833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).