3,3-dimethyl-6-methylideneoct-4-yne

C11H18 — CID 123992042

IUPAC3,3-dimethyl-6-methylideneoct-4-yne
SMILESC=C(C#CC(C)(C)CC)CC
InChIInChI=1S/C11H18/c1-6-10(3)8-9-11(4,5)7-2/h3,6-7H2,1-2,4-5H3
InChIKeyHGBSMGPWGYBGFQ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds2

About 3,3-dimethyl-6-methylideneoct-4-yne

3,3-dimethyl-6-methylideneoct-4-yne (PubChem CID 123992042) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,3-dimethyl-6-methylideneoct-4-yne.

Molecular Properties

Compound Name3,3-dimethyl-6-methylideneoct-4-yne
PubChem CID123992042
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,3-dimethyl-6-methylideneoct-4-yne
SMILESC=C(C#CC(C)(C)CC)CC
InChIInChI=1S/C11H18/c1-6-10(3)8-9-11(4,5)7-2/h3,6-7H2,1-2,4-5H3
InChIKeyHGBSMGPWGYBGFQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-6-methylideneoct-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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-methylideneoct-4-yne?
The IUPAC name of 3,3-dimethyl-6-methylideneoct-4-yne (CID 123992042) is 3,3-dimethyl-6-methylideneoct-4-yne.
What is the SMILES notation for 3,3-dimethyl-6-methylideneoct-4-yne?
The canonical SMILES for 3,3-dimethyl-6-methylideneoct-4-yne is C=C(C#CC(C)(C)CC)CC.
What is the InChIKey of 3,3-dimethyl-6-methylideneoct-4-yne?
The InChIKey is HGBSMGPWGYBGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-6-10(3)8-9-11(4,5)7-2/h3,6-7H2,1-2,4-5H3.
What are the key properties of 3,3-dimethyl-6-methylideneoct-4-yne?
3,3-dimethyl-6-methylideneoct-4-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-methylideneoct-4-yne is sourced from PubChem (CID 123992042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).