3-tert-butyl-1,1,2-trimethylcyclopentane

C12H24 — CID 123786116

IUPAC3-tert-butyl-1,1,2-trimethylcyclopentane
SMILESCC1C(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H24/c1-9-10(11(2,3)4)7-8-12(9,5)6/h9-10H,7-8H2,1-6H3
InChIKeySUWFVDXCSVSDQN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds

About 3-tert-butyl-1,1,2-trimethylcyclopentane

3-tert-butyl-1,1,2-trimethylcyclopentane (PubChem CID 123786116) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-tert-butyl-1,1,2-trimethylcyclopentane.

Molecular Properties

Compound Name3-tert-butyl-1,1,2-trimethylcyclopentane
PubChem CID123786116
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-tert-butyl-1,1,2-trimethylcyclopentane
SMILESCC1C(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H24/c1-9-10(11(2,3)4)7-8-12(9,5)6/h9-10H,7-8H2,1-6H3
InChIKeySUWFVDXCSVSDQN-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-tert-butyl-1,1,2-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

cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
CID 131133876
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
4-[(1S,5S)-5-tert-butyl-2,2-dimethylcyclopentyl]butan-2-one
CID 102363621
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
3-tert-butyl-4-methylspiro[5.6]dodecane
CID 158157061
2-tert-butyl-1,1,5,5-tetramethylcyclohexane
CID 91142167
2,3,3-trimethylcyclopentane-1-carbaldehyde
CID 91750029
2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane
CID 139396447
5-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 15162720
2-hydroxy-2-(2,4,4-trimethylcyclohexyl)propanoic acid
CID 81313663
ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1,2-trimethylcyclopentane?
The IUPAC name of 3-tert-butyl-1,1,2-trimethylcyclopentane (CID 123786116) is 3-tert-butyl-1,1,2-trimethylcyclopentane.
What is the SMILES notation for 3-tert-butyl-1,1,2-trimethylcyclopentane?
The canonical SMILES for 3-tert-butyl-1,1,2-trimethylcyclopentane is CC1C(C(C)(C)C)CCC1(C)C.
What is the InChIKey of 3-tert-butyl-1,1,2-trimethylcyclopentane?
The InChIKey is SUWFVDXCSVSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9-10(11(2,3)4)7-8-12(9,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-1,1,2-trimethylcyclopentane?
3-tert-butyl-1,1,2-trimethylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,1,2-trimethylcyclopentane is sourced from PubChem (CID 123786116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).