2,8-dimethyl-6-methylidenenon-4-yne

C12H20 — CID 134980913

IUPAC2,8-dimethyl-6-methylidenenon-4-yne
SMILESC=C(C#CCC(C)C)CC(C)C
InChIInChI=1S/C12H20/c1-10(2)7-6-8-12(5)9-11(3)4/h10-11H,5,7,9H2,1-4H3
InChIKeyCPXSUIMCVBZFIY-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.64
Rot. Bonds3

About 2,8-dimethyl-6-methylidenenon-4-yne

2,8-dimethyl-6-methylidenenon-4-yne (PubChem CID 134980913) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,8-dimethyl-6-methylidenenon-4-yne.

Molecular Properties

Compound Name2,8-dimethyl-6-methylidenenon-4-yne
PubChem CID134980913
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,8-dimethyl-6-methylidenenon-4-yne
SMILESC=C(C#CCC(C)C)CC(C)C
InChIInChI=1S/C12H20/c1-10(2)7-6-8-12(5)9-11(3)4/h10-11H,5,7,9H2,1-4H3
InChIKeyCPXSUIMCVBZFIY-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,8-dimethyl-6-methylidenenon-4-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

2,5-Dimethyl-1-hexene
CID 33451
2-Methyl-3-methylenehexane
CID 528377
2-Ethyl-4-methyl-1-pentene
CID 520670
Pentane, 2,4-dimethyl-3-methylene-
CID 528376
7-Methylene-undec-5-yne
CID 10866683
2,6-Dimethyl-5-methylidenehept-3-yne
CID 10855515
6-Methylidenenon-4-yne
CID 15584278
Isobutyl-Isopropyl-Aethylen
CID 18710054
(3S)-3-methyloct-1-en-6-yne
CID 58067898
6-Methyl-5-methylidenehept-1-yne
CID 123228391
5-Methyl-3-methylidenehex-1-yne
CID 22638461
5-Fluoro-5,7-dimethyl-6-methylideneoct-3-yne
CID 177991552

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-methylidenenon-4-yne?
The IUPAC name of 2,8-dimethyl-6-methylidenenon-4-yne (CID 134980913) is 2,8-dimethyl-6-methylidenenon-4-yne.
What is the SMILES notation for 2,8-dimethyl-6-methylidenenon-4-yne?
The canonical SMILES for 2,8-dimethyl-6-methylidenenon-4-yne is C=C(C#CCC(C)C)CC(C)C.
What is the InChIKey of 2,8-dimethyl-6-methylidenenon-4-yne?
The InChIKey is CPXSUIMCVBZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)7-6-8-12(5)9-11(3)4/h10-11H,5,7,9H2,1-4H3.
What are the key properties of 2,8-dimethyl-6-methylidenenon-4-yne?
2,8-dimethyl-6-methylidenenon-4-yne has a molecular weight of 164.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-methylidenenon-4-yne is sourced from PubChem (CID 134980913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).