(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane

C12H22 — CID 3085990

IUPAC(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane
SMILESC=C(C)C[C@]1(C)CCC(C)(C)C1
InChIInChI=1S/C12H22/c1-10(2)8-12(5)7-6-11(3,4)9-12/h1,6-9H2,2-5H3/t12-/m0/s1
InChIKeyDXIUTXDTDSKHFH-LBPRGKRZSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds2

About (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane

(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane (PubChem CID 3085990) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane.

Molecular Properties

Compound Name(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane
PubChem CID3085990
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane
SMILESC=C(C)C[C@]1(C)CCC(C)(C)C1
InChIInChI=1S/C12H22/c1-10(2)8-12(5)7-6-11(3,4)9-12/h1,6-9H2,2-5H3/t12-/m0/s1
InChIKeyDXIUTXDTDSKHFH-LBPRGKRZSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
1-Methyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 543757
2,4,4,6,6,8,8-Heptamethyl-1-nonene
CID 545785
Methallylcyclopentane
CID 548977
2,2-Dimethyl-3-methylideneundecane
CID 14288227
2,3,3-Trimethyloct-1-ene
CID 15084421
Cyclopentane, 1-isopropenyl-2,3-dimethyl-
CID 522361
6-Methylenespiro[4.5]decane
CID 564762
1,1,2,2,3,3-Hexamethyl-4,5-bis(methylene)cyclopentane
CID 10954099
2-Methylenespiro[4.4]nonane
CID 24977226
1-Methylenespiro[4.4]nonane
CID 565056
1-Methyl-1-(1-methylethenyl)cyclohexane
CID 14685113

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane?
The IUPAC name of (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane (CID 3085990) is (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane.
What is the SMILES notation for (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane?
The canonical SMILES for (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane is C=C(C)C[C@]1(C)CCC(C)(C)C1.
What is the InChIKey of (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane?
The InChIKey is DXIUTXDTDSKHFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)8-12(5)7-6-11(3,4)9-12/h1,6-9H2,2-5H3/t12-/m0/s1.
What are the key properties of (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane?
(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane is sourced from PubChem (CID 3085990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).