(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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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).