3,3,4-trimethylcycloundecyne

C14H24 — CID 21224653

IUPAC3,3,4-trimethylcycloundecyne
SMILESCC1CCCCCCCC#CC1(C)C
InChIInChI=1S/C14H24/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-9,11H2,1-3H3
InChIKeyJYIGSROTQFJTKE-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.40
Rot. Bonds

About 3,3,4-trimethylcycloundecyne

3,3,4-trimethylcycloundecyne (PubChem CID 21224653) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,3,4-trimethylcycloundecyne.

Molecular Properties

Compound Name3,3,4-trimethylcycloundecyne
PubChem CID21224653
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,3,4-trimethylcycloundecyne
SMILESCC1CCCCCCCC#CC1(C)C
InChIInChI=1S/C14H24/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-9,11H2,1-3H3
InChIKeyJYIGSROTQFJTKE-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,4-trimethylcycloundecyne 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 3,3,4-trimethylcycloundecyne?
The IUPAC name of 3,3,4-trimethylcycloundecyne (CID 21224653) is 3,3,4-trimethylcycloundecyne.
What is the SMILES notation for 3,3,4-trimethylcycloundecyne?
The canonical SMILES for 3,3,4-trimethylcycloundecyne is CC1CCCCCCCC#CC1(C)C.
What is the InChIKey of 3,3,4-trimethylcycloundecyne?
The InChIKey is JYIGSROTQFJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-9,11H2,1-3H3.
What are the key properties of 3,3,4-trimethylcycloundecyne?
3,3,4-trimethylcycloundecyne has a molecular weight of 192.35 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylcycloundecyne is sourced from PubChem (CID 21224653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).