2,3,8,9-tetramethyldeca-4,6-diyne

C14H22 — CID 134978043

IUPAC2,3,8,9-tetramethyldeca-4,6-diyne
SMILESCC(C)C(C)C#CC#CC(C)C(C)C
InChIInChI=1S/C14H22/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-14H,1-6H3
InChIKeyMWWDPOIFVRYCAN-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.58
Rot. Bonds2

About 2,3,8,9-tetramethyldeca-4,6-diyne

2,3,8,9-tetramethyldeca-4,6-diyne (PubChem CID 134978043) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2,3,8,9-tetramethyldeca-4,6-diyne.

Molecular Properties

Compound Name2,3,8,9-tetramethyldeca-4,6-diyne
PubChem CID134978043
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2,3,8,9-tetramethyldeca-4,6-diyne
SMILESCC(C)C(C)C#CC#CC(C)C(C)C
InChIInChI=1S/C14H22/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-14H,1-6H3
InChIKeyMWWDPOIFVRYCAN-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,8,9-tetramethyldeca-4,6-diyne 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 2,3,8,9-tetramethyldeca-4,6-diyne?
The IUPAC name of 2,3,8,9-tetramethyldeca-4,6-diyne (CID 134978043) is 2,3,8,9-tetramethyldeca-4,6-diyne.
What is the SMILES notation for 2,3,8,9-tetramethyldeca-4,6-diyne?
The canonical SMILES for 2,3,8,9-tetramethyldeca-4,6-diyne is CC(C)C(C)C#CC#CC(C)C(C)C.
What is the InChIKey of 2,3,8,9-tetramethyldeca-4,6-diyne?
The InChIKey is MWWDPOIFVRYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-14H,1-6H3.
What are the key properties of 2,3,8,9-tetramethyldeca-4,6-diyne?
2,3,8,9-tetramethyldeca-4,6-diyne has a molecular weight of 190.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetramethyldeca-4,6-diyne is sourced from PubChem (CID 134978043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).