(Z)-3-methylhept-2-en-4-yn-1-ol

C8H12O — CID 10329297

IUPAC(Z)-3-methylhept-2-en-4-yn-1-ol
SMILESCCC#C/C(C)=C\CO
InChIInChI=1S/C8H12O/c1-3-4-5-8(2)6-7-9/h6,9H,3,7H2,1-2H3/b8-6-
InChIKeyWSWGTQPIOCMFFL-VURMDHGXSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds1

About (Z)-3-methylhept-2-en-4-yn-1-ol

(Z)-3-methylhept-2-en-4-yn-1-ol (PubChem CID 10329297) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (Z)-3-methylhept-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-3-methylhept-2-en-4-yn-1-ol
PubChem CID10329297
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(Z)-3-methylhept-2-en-4-yn-1-ol
SMILESCCC#C/C(C)=C\CO
InChIInChI=1S/C8H12O/c1-3-4-5-8(2)6-7-9/h6,9H,3,7H2,1-2H3/b8-6-
InChIKeyWSWGTQPIOCMFFL-VURMDHGXSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
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)-3-methylhept-2-en-4-yn-1-ol?
The IUPAC name of (Z)-3-methylhept-2-en-4-yn-1-ol (CID 10329297) is (Z)-3-methylhept-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-3-methylhept-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-3-methylhept-2-en-4-yn-1-ol is CCC#C/C(C)=C\CO.
What is the InChIKey of (Z)-3-methylhept-2-en-4-yn-1-ol?
The InChIKey is WSWGTQPIOCMFFL-VURMDHGXSA-N. The full InChI is InChI=1S/C8H12O/c1-3-4-5-8(2)6-7-9/h6,9H,3,7H2,1-2H3/b8-6-.
What are the key properties of (Z)-3-methylhept-2-en-4-yn-1-ol?
(Z)-3-methylhept-2-en-4-yn-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylhept-2-en-4-yn-1-ol is sourced from PubChem (CID 10329297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).