1-tert-butyl-4-tetradecylcyclohexane

C24H48 — CID 71420445

IUPAC1-tert-butyl-4-tetradecylcyclohexane
SMILESCCCCCCCCCCCCCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(21-19-22)24(2,3)4/h22-23H,5-21H2,1-4H3
InChIKeyMCNDNXYKTXHLNZ-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.93
Rot. Bonds13

About 1-tert-butyl-4-tetradecylcyclohexane

1-tert-butyl-4-tetradecylcyclohexane (PubChem CID 71420445) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1-tert-butyl-4-tetradecylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-tetradecylcyclohexane
PubChem CID71420445
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1-tert-butyl-4-tetradecylcyclohexane
SMILESCCCCCCCCCCCCCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(21-19-22)24(2,3)4/h22-23H,5-21H2,1-4H3
InChIKeyMCNDNXYKTXHLNZ-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-tetradecylcyclohexane?
The IUPAC name of 1-tert-butyl-4-tetradecylcyclohexane (CID 71420445) is 1-tert-butyl-4-tetradecylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-tetradecylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-tetradecylcyclohexane is CCCCCCCCCCCCCCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-tetradecylcyclohexane?
The InChIKey is MCNDNXYKTXHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(21-19-22)24(2,3)4/h22-23H,5-21H2,1-4H3.
What are the key properties of 1-tert-butyl-4-tetradecylcyclohexane?
1-tert-butyl-4-tetradecylcyclohexane has a molecular weight of 336.65 g/mol, XLogP of 8.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-tetradecylcyclohexane is sourced from PubChem (CID 71420445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).