(Z)-hept-4-en-2-yn-1-ol

C7H10O — CID 13315296

IUPAC(Z)-hept-4-en-2-yn-1-ol
SMILESCC/C=C\C#CCO
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-4,8H,2,7H2,1H3/b4-3-
InChIKeyPWVLROAWCAEXBA-ARJAWSKDSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds1

About (Z)-hept-4-en-2-yn-1-ol

(Z)-hept-4-en-2-yn-1-ol (PubChem CID 13315296) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-hept-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(Z)-hept-4-en-2-yn-1-ol
PubChem CID13315296
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(Z)-hept-4-en-2-yn-1-ol
SMILESCC/C=C\C#CCO
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-4,8H,2,7H2,1H3/b4-3-
InChIKeyPWVLROAWCAEXBA-ARJAWSKDSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-hept-4-en-2-yn-1-ol?
The IUPAC name of (Z)-hept-4-en-2-yn-1-ol (CID 13315296) is (Z)-hept-4-en-2-yn-1-ol.
What is the SMILES notation for (Z)-hept-4-en-2-yn-1-ol?
The canonical SMILES for (Z)-hept-4-en-2-yn-1-ol is CC/C=C\C#CCO.
What is the InChIKey of (Z)-hept-4-en-2-yn-1-ol?
The InChIKey is PWVLROAWCAEXBA-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-4,8H,2,7H2,1H3/b4-3-.
What are the key properties of (Z)-hept-4-en-2-yn-1-ol?
(Z)-hept-4-en-2-yn-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 1 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-yn-1-ol is sourced from PubChem (CID 13315296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).