(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane

C19H36 — CID 162245394

IUPAC(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
SMILESC[C@H]1CC[C@H](C)C1.C[C@H]1C[C@@H](C)[C@H](C2CCCC2)C1
InChIInChI=1S/C12H22.C7H14/c1-9-7-10(2)12(8-9)11-5-3-4-6-11;1-6-3-4-7(2)5-6/h9-12H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3/t9-,10+,12+;6-,7-/m00/s1
InChIKeyZXGPCRWCVIMFDN-RSASGFDSSA-N
MW264.50 g/mol
LogP6.30
Rot. Bonds1

About (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane

(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane (PubChem CID 162245394) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane.

Molecular Properties

Compound Name(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
PubChem CID162245394
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
SMILESC[C@H]1CC[C@H](C)C1.C[C@H]1C[C@@H](C)[C@H](C2CCCC2)C1
InChIInChI=1S/C12H22.C7H14/c1-9-7-10(2)12(8-9)11-5-3-4-6-11;1-6-3-4-7(2)5-6/h9-12H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3/t9-,10+,12+;6-,7-/m00/s1
InChIKeyZXGPCRWCVIMFDN-RSASGFDSSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
(2-methylcyclopropyl)cyclooctane
CID 19768877
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 172615234
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
CID 58552161
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
CID 81021365
1,3,5-trimethylcyclododecane
CID 123355776
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane?
The IUPAC name of (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane (CID 162245394) is (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane.
What is the SMILES notation for (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane?
The canonical SMILES for (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane is C[C@H]1CC[C@H](C)C1.C[C@H]1C[C@@H](C)[C@H](C2CCCC2)C1.
What is the InChIKey of (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane?
The InChIKey is ZXGPCRWCVIMFDN-RSASGFDSSA-N. The full InChI is InChI=1S/C12H22.C7H14/c1-9-7-10(2)12(8-9)11-5-3-4-6-11;1-6-3-4-7(2)5-6/h9-12H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3/t9-,10+,12+;6-,7-/m00/s1.
What are the key properties of (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane?
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane has a molecular weight of 264.50 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane is sourced from PubChem (CID 162245394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).