1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane

C17H34 — CID 123230670

IUPAC1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
SMILESCCC(C)(C)CCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34/c1-7-17(5,6)13-12-14-8-10-15(11-9-14)16(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyCSYQUCBKUCLROT-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds4

About 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane

1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane (PubChem CID 123230670) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
PubChem CID123230670
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
SMILESCCC(C)(C)CCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34/c1-7-17(5,6)13-12-14-8-10-15(11-9-14)16(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyCSYQUCBKUCLROT-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
1-(2-bromoethyl)-4-tert-butylcyclohexane
CID 22929646
1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
1-tert-butyl-4-(4-pentylcyclohexyl)cyclohexane;ethane
CID 164591345
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
1-tert-butyl-4-(2-iodobutan-2-yl)cyclohexane
CID 144597352
3-[(4-tert-butylcyclohexyl)methyl]azetidine
CID 104574692
1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
CID 58552788
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane (CID 123230670) is 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane is CCC(C)(C)CCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane?
The InChIKey is CSYQUCBKUCLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-17(5,6)13-12-14-8-10-15(11-9-14)16(2,3)4/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane?
1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane is sourced from PubChem (CID 123230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).