tetradecylcycloundecane

C25H50 — CID 169026040

IUPACtetradecylcycloundecane
SMILESCCCCCCCCCCCCCCC1CCCCCCCCCC1
InChIInChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-23-20-17-14-11-12-15-18-21-24-25/h25H,2-24H2,1H3
InChIKeyATGICMPJKNADAN-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.61
Rot. Bonds13

About tetradecylcycloundecane

tetradecylcycloundecane (PubChem CID 169026040) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is tetradecylcycloundecane.

Molecular Properties

Compound Nametetradecylcycloundecane
PubChem CID169026040
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Nametetradecylcycloundecane
SMILESCCCCCCCCCCCCCCC1CCCCCCCCCC1
InChIInChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-23-20-17-14-11-12-15-18-21-24-25/h25H,2-24H2,1H3
InChIKeyATGICMPJKNADAN-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetradecylcycloundecane 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

docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
heptylcyclohexane;propan-2-one
CID 143570854
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746

Frequently Asked Questions

What is the IUPAC name of tetradecylcycloundecane?
The IUPAC name of tetradecylcycloundecane (CID 169026040) is tetradecylcycloundecane.
What is the SMILES notation for tetradecylcycloundecane?
The canonical SMILES for tetradecylcycloundecane is CCCCCCCCCCCCCCC1CCCCCCCCCC1.
What is the InChIKey of tetradecylcycloundecane?
The InChIKey is ATGICMPJKNADAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-23-20-17-14-11-12-15-18-21-24-25/h25H,2-24H2,1H3.
What are the key properties of tetradecylcycloundecane?
tetradecylcycloundecane has a molecular weight of 350.68 g/mol, XLogP of 9.61, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylcycloundecane is sourced from PubChem (CID 169026040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).