cis-(1R,2R)-1-ethyl-2-methylcyclopentane

C8H16 — CID 13598

IUPACcis-(1R,2R)-1-ethyl-2-methylcyclopentane
SMILESCC[C@@H]1CCC[C@H]1C
InChIInChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBSKOLJVTLRLTHE-HTQZYQBOSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds1

About cis-(1R,2R)-1-ethyl-2-methylcyclopentane

cis-(1R,2R)-1-ethyl-2-methylcyclopentane (PubChem CID 13598) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is cis-(1R,2R)-1-ethyl-2-methylcyclopentane.

Molecular Properties

Compound Namecis-(1R,2R)-1-ethyl-2-methylcyclopentane
PubChem CID13598
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namecis-(1R,2R)-1-ethyl-2-methylcyclopentane
SMILESCC[C@@H]1CCC[C@H]1C
InChIInChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBSKOLJVTLRLTHE-HTQZYQBOSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Dimethylcyclopentane, cis-
CID 14498
1,2-Dimethylcyclopentane
CID 17148
(1alpha,2alpha,4beta)-1,2,4-Trimethylcyclopentane
CID 17779
1,2,3-Trimethylcyclopentane
CID 35368
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
Isobutylcyclopentane
CID 77414
cis-1,1,3,4-Tetramethylcyclopentane
CID 6432537
(1R,2S)-1-heptyl-2-octylcyclopentane
CID 107873
Propylcyclopentane
CID 16270
trans-1,2-Dimethylcyclopentane
CID 252359
Cyclopentane, 1,2,3-trimethyl-, (1alpha,2alpha,3beta)-
CID 6432144
Pentylcyclopentane
CID 19540

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-ethyl-2-methylcyclopentane?
The IUPAC name of cis-(1R,2R)-1-ethyl-2-methylcyclopentane (CID 13598) is cis-(1R,2R)-1-ethyl-2-methylcyclopentane.
What is the SMILES notation for cis-(1R,2R)-1-ethyl-2-methylcyclopentane?
The canonical SMILES for cis-(1R,2R)-1-ethyl-2-methylcyclopentane is CC[C@@H]1CCC[C@H]1C.
What is the InChIKey of cis-(1R,2R)-1-ethyl-2-methylcyclopentane?
The InChIKey is BSKOLJVTLRLTHE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-1-ethyl-2-methylcyclopentane?
cis-(1R,2R)-1-ethyl-2-methylcyclopentane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-ethyl-2-methylcyclopentane is sourced from PubChem (CID 13598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).