1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane

C35H68 — CID 58552788

IUPAC1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
SMILESCCCCCCCCCC1CCCCCCCCCCC(CCC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C35H68/c1-5-6-7-8-11-14-17-20-31-21-18-15-12-9-10-13-16-19-22-32(24-23-31)25-26-33-27-29-34(30-28-33)35(2,3)4/h31-34H,5-30H2,1-4H3
InChIKeyGYVKNWSYBLYEAZ-UHFFFAOYSA-N
MW488.93 g/mol
LogP12.69
Rot. Bonds11

About 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane

1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane (PubChem CID 58552788) has the molecular formula C35H68 and a molecular weight of 488.93 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
PubChem CID58552788
Molecular FormulaC35H68
Molecular Weight488.93 g/mol
Exact Mass488.53
IUPAC Name1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
SMILESCCCCCCCCCC1CCCCCCCCCCC(CCC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C35H68/c1-5-6-7-8-11-14-17-20-31-21-18-15-12-9-10-13-16-19-22-32(24-23-31)25-26-33-27-29-34(30-28-33)35(2,3)4/h31-34H,5-30H2,1-4H3
InChIKeyGYVKNWSYBLYEAZ-UHFFFAOYSA-N
XLogP12.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane 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

1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
1-tert-butyl-4-(4-pentylcyclohexyl)cyclohexane;ethane
CID 164591345
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane (CID 58552788) is 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane is CCCCCCCCCC1CCCCCCCCCCC(CCC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane?
The InChIKey is GYVKNWSYBLYEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68/c1-5-6-7-8-11-14-17-20-31-21-18-15-12-9-10-13-16-19-22-32(24-23-31)25-26-33-27-29-34(30-28-33)35(2,3)4/h31-34H,5-30H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane?
1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane has a molecular weight of 488.93 g/mol, XLogP of 12.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane is sourced from PubChem (CID 58552788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).