4,5,6,7,8-pentamethyldec-2-yne

C15H28 — CID 91106501

IUPAC4,5,6,7,8-pentamethyldec-2-yne
SMILESCC#CC(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C15H28/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-15H,9H2,1-7H3
InChIKeyIKPAJYZHMZZKMA-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.60
Rot. Bonds5

About 4,5,6,7,8-pentamethyldec-2-yne

4,5,6,7,8-pentamethyldec-2-yne (PubChem CID 91106501) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 4,5,6,7,8-pentamethyldec-2-yne.

Molecular Properties

Compound Name4,5,6,7,8-pentamethyldec-2-yne
PubChem CID91106501
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name4,5,6,7,8-pentamethyldec-2-yne
SMILESCC#CC(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C15H28/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-15H,9H2,1-7H3
InChIKeyIKPAJYZHMZZKMA-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5,6,7,8-pentamethyldec-2-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 4,5,6,7,8-pentamethyldec-2-yne?
The IUPAC name of 4,5,6,7,8-pentamethyldec-2-yne (CID 91106501) is 4,5,6,7,8-pentamethyldec-2-yne.
What is the SMILES notation for 4,5,6,7,8-pentamethyldec-2-yne?
The canonical SMILES for 4,5,6,7,8-pentamethyldec-2-yne is CC#CC(C)C(C)C(C)C(C)C(C)CC.
What is the InChIKey of 4,5,6,7,8-pentamethyldec-2-yne?
The InChIKey is IKPAJYZHMZZKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-15H,9H2,1-7H3.
What are the key properties of 4,5,6,7,8-pentamethyldec-2-yne?
4,5,6,7,8-pentamethyldec-2-yne has a molecular weight of 208.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8-pentamethyldec-2-yne is sourced from PubChem (CID 91106501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).