tetradec-3-ynylcyclohexane

C20H36 — CID 134977776

IUPACtetradec-3-ynylcyclohexane
SMILESCCCCCCCCCCC#CCCC1CCCCC1
InChIInChI=1S/C20H36/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-10,13-19H2,1H3
InChIKeyHGPOUQWNHJPRDE-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.88
Rot. Bonds10

About tetradec-3-ynylcyclohexane

tetradec-3-ynylcyclohexane (PubChem CID 134977776) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is tetradec-3-ynylcyclohexane.

Molecular Properties

Compound Nametetradec-3-ynylcyclohexane
PubChem CID134977776
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Nametetradec-3-ynylcyclohexane
SMILESCCCCCCCCCCC#CCCC1CCCCC1
InChIInChI=1S/C20H36/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-10,13-19H2,1H3
InChIKeyHGPOUQWNHJPRDE-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetradec-3-ynylcyclohexane 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

Decylcyclohexane
CID 15713
Cyclohexane, tetradecyl-
CID 15715
Tridecylcyclohexane
CID 22327
Undecylcyclohexane
CID 40997
Dodecylcyclohexane
CID 15714
1-Cyclohexyloctadecane
CID 20514
Hexadecylcyclohexane
CID 23250
Cyclohexane, eicosyl-
CID 20511
Pentadecylcyclohexane
CID 22328
7-Octadecyne, 2-methyl-
CID 118810
(But-3-yn-1-yl)cyclohexane
CID 15172911
Heptadecylcyclohexane
CID 29777

Frequently Asked Questions

What is the IUPAC name of tetradec-3-ynylcyclohexane?
The IUPAC name of tetradec-3-ynylcyclohexane (CID 134977776) is tetradec-3-ynylcyclohexane.
What is the SMILES notation for tetradec-3-ynylcyclohexane?
The canonical SMILES for tetradec-3-ynylcyclohexane is CCCCCCCCCCC#CCCC1CCCCC1.
What is the InChIKey of tetradec-3-ynylcyclohexane?
The InChIKey is HGPOUQWNHJPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-10,13-19H2,1H3.
What are the key properties of tetradec-3-ynylcyclohexane?
tetradec-3-ynylcyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-3-ynylcyclohexane is sourced from PubChem (CID 134977776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).