1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane

C17H34 — CID 59620662

IUPAC1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane
SMILESCC(C)(C)CCCC1CCCC1(C)C(C)(C)C
InChIInChI=1S/C17H34/c1-15(2,3)12-8-10-14-11-9-13-17(14,7)16(4,5)6/h14H,8-13H2,1-7H3
InChIKeyCIBCFMRWRYFRFV-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds3

About 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane

1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane (PubChem CID 59620662) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane
PubChem CID59620662
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane
SMILESCC(C)(C)CCCC1CCCC1(C)C(C)(C)C
InChIInChI=1S/C17H34/c1-15(2,3)12-8-10-14-11-9-13-17(14,7)16(4,5)6/h14H,8-13H2,1-7H3
InChIKeyCIBCFMRWRYFRFV-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane 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-1-methyl-2-propylcyclohexane
CID 163211328
[5-(2,2-dimethylcyclopentyl)-2-methylpentan-2-yl]phosphane
CID 170104157
4,4-dimethylpentylcycloundecane
CID 176613669
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490
1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane
CID 158041730
2-[3-(4-hydroxy-4-methylpentyl)-2,2-dimethylcyclohexyl]acetaldehyde
CID 20577982
(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
CID 177218986
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
CID 65154010
3,3-dimethylbutylcycloheptane;5,5-dimethylhexylcycloheptane;5,5-dimethylhexylcyclohexane;4,4-dimethylpentylcycloheptane;4,4-dimethylpentylcyclohexane;2,2-dimethylpropylcycloheptane
CID 157446599
3-(6,6-dimethylheptan-2-yl)-3a,7a-dimethyl-7-methylidene-1,2,3,4,5,6-hexahydroindene
CID 123648458
1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
CID 79586556

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane?
The IUPAC name of 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane (CID 59620662) is 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane.
What is the SMILES notation for 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane?
The canonical SMILES for 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane is CC(C)(C)CCCC1CCCC1(C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane?
The InChIKey is CIBCFMRWRYFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-15(2,3)12-8-10-14-11-9-13-17(14,7)16(4,5)6/h14H,8-13H2,1-7H3.
What are the key properties of 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane?
1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane is sourced from PubChem (CID 59620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).