2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane

C14H28 — CID 140575745

IUPAC2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane
SMILESCC1CCC(CCC(C)(C)C)C1(C)C
InChIInChI=1S/C14H28/c1-11-7-8-12(14(11,5)6)9-10-13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyNCPRLZWMUIBNOG-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane

2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane (PubChem CID 140575745) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane
PubChem CID140575745
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane
SMILESCC1CCC(CCC(C)(C)C)C1(C)C
InChIInChI=1S/C14H28/c1-11-7-8-12(14(11,5)6)9-10-13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyNCPRLZWMUIBNOG-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane 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

(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
(5R)-1,1,2-trimethyl-5-[(3S)-3-methylpentyl]cyclopentane
CID 145389253
(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
CID 11095605
ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
CID 155737332
2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile
CID 45098299
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
CID 141216696
2-[2-[(1S)-2,2,3-trimethylcyclopentyl]ethoxy]acetonitrile
CID 72710171
1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
CID 141208854
methyl 4-(2,2,3-trimethylcyclopentyl)butanoate
CID 102502301
4-methyl-6-[(1S)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 129088404

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane?
The IUPAC name of 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane (CID 140575745) is 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane?
The canonical SMILES for 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane is CC1CCC(CCC(C)(C)C)C1(C)C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane?
The InChIKey is NCPRLZWMUIBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11-7-8-12(14(11,5)6)9-10-13(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane?
2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane is sourced from PubChem (CID 140575745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).