cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane

C12H22 — CID 91373089

IUPACcis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
SMILESCC1CCC[C@H]1[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C12H22/c1-9-5-3-7-11(9)12-8-4-6-10(12)2/h9-12H,3-8H2,1-2H3/t9-,10?,11+,12+/m0/s1
InChIKeyLHAHWKKANDDCKY-DYXFLFRNSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane

cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane (PubChem CID 91373089) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane.

Molecular Properties

Compound Namecis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
PubChem CID91373089
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namecis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
SMILESCC1CCC[C@H]1[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C12H22/c1-9-5-3-7-11(9)12-8-4-6-10(12)2/h9-12H,3-8H2,1-2H3/t9-,10?,11+,12+/m0/s1
InChIKeyLHAHWKKANDDCKY-DYXFLFRNSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonic acid
CID 89385600
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane?
The IUPAC name of cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane (CID 91373089) is cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane.
What is the SMILES notation for cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane?
The canonical SMILES for cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane is CC1CCC[C@H]1[C@@H]1CCC[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane?
The InChIKey is LHAHWKKANDDCKY-DYXFLFRNSA-N. The full InChI is InChI=1S/C12H22/c1-9-5-3-7-11(9)12-8-4-6-10(12)2/h9-12H,3-8H2,1-2H3/t9-,10?,11+,12+/m0/s1.
What are the key properties of cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane?
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane is sourced from PubChem (CID 91373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).