(Z)-3-methylpent-3-en-1-yne

C6H8 — CID 5367413

IUPAC(Z)-3-methylpent-3-en-1-yne
SMILESC#C/C(C)=C\C
InChIInChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3/b6-5-
InChIKeyGRGVQLWQXHFRHO-WAYWQWQTSA-N
MW80.13 g/mol
LogP1.59
Rot. Bonds

About (Z)-3-methylpent-3-en-1-yne

(Z)-3-methylpent-3-en-1-yne (PubChem CID 5367413) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is (Z)-3-methylpent-3-en-1-yne.

Molecular Properties

Compound Name(Z)-3-methylpent-3-en-1-yne
PubChem CID5367413
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name(Z)-3-methylpent-3-en-1-yne
SMILESC#C/C(C)=C\C
InChIInChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3/b6-5-
InChIKeyGRGVQLWQXHFRHO-WAYWQWQTSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-3-methylpent-3-en-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylpent-3-en-1-yne?
The IUPAC name of (Z)-3-methylpent-3-en-1-yne (CID 5367413) is (Z)-3-methylpent-3-en-1-yne.
What is the SMILES notation for (Z)-3-methylpent-3-en-1-yne?
The canonical SMILES for (Z)-3-methylpent-3-en-1-yne is C#C/C(C)=C\C.
What is the InChIKey of (Z)-3-methylpent-3-en-1-yne?
The InChIKey is GRGVQLWQXHFRHO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3/b6-5-.
What are the key properties of (Z)-3-methylpent-3-en-1-yne?
(Z)-3-methylpent-3-en-1-yne has a molecular weight of 80.13 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-3-en-1-yne is sourced from PubChem (CID 5367413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).