(3Z)-3,4-dimethylhexa-1,3-dien-5-yne

C8H10 — CID 169129947

IUPAC(3Z)-3,4-dimethylhexa-1,3-dien-5-yne
SMILESC#C/C(C)=C(/C)C=C
InChIInChI=1S/C8H10/c1-5-7(3)8(4)6-2/h1,6H,2H2,3-4H3/b8-7-
InChIKeyMOGNLBUMHYNBHY-FPLPWBNLSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds1

About (3Z)-3,4-dimethylhexa-1,3-dien-5-yne

(3Z)-3,4-dimethylhexa-1,3-dien-5-yne (PubChem CID 169129947) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (3Z)-3,4-dimethylhexa-1,3-dien-5-yne.

Molecular Properties

Compound Name(3Z)-3,4-dimethylhexa-1,3-dien-5-yne
PubChem CID169129947
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(3Z)-3,4-dimethylhexa-1,3-dien-5-yne
SMILESC#C/C(C)=C(/C)C=C
InChIInChI=1S/C8H10/c1-5-7(3)8(4)6-2/h1,6H,2H2,3-4H3/b8-7-
InChIKeyMOGNLBUMHYNBHY-FPLPWBNLSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-3,4-dimethylhexa-1,3-dien-5-yne with MolForge

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

Launch Full Analysis

Related Compounds

3-Ethynyl-4-fluorohexa-1,3,5-triene
CID 123323351
(3Z)-3-ethynyl-4-fluoropenta-1,3-diene
CID 144826031
(3Z,5E)-3-ethynyl-5-fluorohepta-1,3,5-triene
CID 167021732
(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne
CID 171074942
(3Z)-7-methylocta-3,5,6-trien-1-yne
CID 10749163
3,4-Diethynylhexa-1,3,5-triene
CID 91477623
(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne
CID 91999096
(4E,5E)-4,5-di(ethylidene)octa-2,6-diyne
CID 91999195
(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne
CID 134977984
(3Z)-4,7-dimethylocta-3,5,6-trien-1-yne
CID 134993314
(3Z)-3,7-dimethylocta-3,5,6-trien-1-yne
CID 134993465
(3Z)-4-methylocta-3,5,6-trien-1-yne
CID 134993608

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-dimethylhexa-1,3-dien-5-yne?
The IUPAC name of (3Z)-3,4-dimethylhexa-1,3-dien-5-yne (CID 169129947) is (3Z)-3,4-dimethylhexa-1,3-dien-5-yne.
What is the SMILES notation for (3Z)-3,4-dimethylhexa-1,3-dien-5-yne?
The canonical SMILES for (3Z)-3,4-dimethylhexa-1,3-dien-5-yne is C#C/C(C)=C(/C)C=C.
What is the InChIKey of (3Z)-3,4-dimethylhexa-1,3-dien-5-yne?
The InChIKey is MOGNLBUMHYNBHY-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H10/c1-5-7(3)8(4)6-2/h1,6H,2H2,3-4H3/b8-7-.
What are the key properties of (3Z)-3,4-dimethylhexa-1,3-dien-5-yne?
(3Z)-3,4-dimethylhexa-1,3-dien-5-yne has a molecular weight of 106.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-dimethylhexa-1,3-dien-5-yne is sourced from PubChem (CID 169129947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).