(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane

C9H18 — CID 6431519

IUPAC(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
SMILESCC[C@H]1CC[C@@H](C)[C@H]1C
InChIInChI=1S/C9H18/c1-4-9-6-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyUMUGNPFWQJAOJI-HLTSFMKQSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane

(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane (PubChem CID 6431519) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane.

Molecular Properties

Compound Name(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
PubChem CID6431519
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
SMILESCC[C@H]1CC[C@@H](C)[C@H]1C
InChIInChI=1S/C9H18/c1-4-9-6-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyUMUGNPFWQJAOJI-HLTSFMKQSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
1,3-diethyl-2-methylcyclopentane
CID 123589151
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
CID 59755188
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
ethane;2-ethyl-5-methylcyclopentan-1-amine
CID 176686280
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane?
The IUPAC name of (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane (CID 6431519) is (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane.
What is the SMILES notation for (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane?
The canonical SMILES for (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane is CC[C@H]1CC[C@@H](C)[C@H]1C.
What is the InChIKey of (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane?
The InChIKey is UMUGNPFWQJAOJI-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18/c1-4-9-6-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane?
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane is sourced from PubChem (CID 6431519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).