1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane

C30H56 — CID 58552442

IUPAC1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
SMILESCC1C(CCC2CCC(C(C)(C)C)CC2)CCC1C1CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C30H56/c1-22-25(13-8-23-11-17-27(18-12-23)30(5,6)7)16-19-28(22)26-14-9-24(10-15-26)20-21-29(2,3)4/h22-28H,8-21H2,1-7H3
InChIKeyLBPLLVVKHSDUEF-UHFFFAOYSA-N
MW416.78 g/mol
LogP9.91
Rot. Bonds6

About 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane

1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane (PubChem CID 58552442) has the molecular formula C30H56 and a molecular weight of 416.78 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
PubChem CID58552442
Molecular FormulaC30H56
Molecular Weight416.78 g/mol
Exact Mass416.44
IUPAC Name1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
SMILESCC1C(CCC2CCC(C(C)(C)C)CC2)CCC1C1CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C30H56/c1-22-25(13-8-23-11-17-27(18-12-23)30(5,6)7)16-19-28(22)26-14-9-24(10-15-26)20-21-29(2,3)4/h22-28H,8-21H2,1-7H3
InChIKeyLBPLLVVKHSDUEF-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane with MolForge

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Related Compounds

1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
CID 161402901
1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
CID 123230670
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
2-(2-cyclopropylethyl)bicyclo[3.1.0]hexane
CID 154516067
1-(2-bromoethyl)-4-tert-butylcyclohexane
CID 22929646
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
1-tert-butyl-4-(4-pentylcyclohexyl)cyclohexane;ethane
CID 164591345
1-[2-(cyclopentylmethyl)-3-propylcyclopentyl]-3,5-bis(3,3-dimethylbutyl)cyclohexane
CID 58552489
4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 104575954
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine
CID 134285692
4-(4-tert-butylcyclohexyl)-3-methylpiperidine
CID 104576146

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane?
The IUPAC name of 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane (CID 58552442) is 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane?
The canonical SMILES for 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane is CC1C(CCC2CCC(C(C)(C)C)CC2)CCC1C1CCC(CCC(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane?
The InChIKey is LBPLLVVKHSDUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56/c1-22-25(13-8-23-11-17-27(18-12-23)30(5,6)7)16-19-28(22)26-14-9-24(10-15-26)20-21-29(2,3)4/h22-28H,8-21H2,1-7H3.
What are the key properties of 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane?
1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane has a molecular weight of 416.78 g/mol, XLogP of 9.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane is sourced from PubChem (CID 58552442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).