ethane;(3R)-3-ethylcyclopentene

C9H18 — CID 145484001

IUPACethane;(3R)-3-ethylcyclopentene
SMILESCC.CC[C@H]1C=CCC1
InChIInChI=1S/C7H12.C2H6/c1-2-7-5-3-4-6-7;1-2/h3,5,7H,2,4,6H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyPFXLWZIXPZAMLZ-FJXQXJEOSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds1

About ethane;(3R)-3-ethylcyclopentene

ethane;(3R)-3-ethylcyclopentene (PubChem CID 145484001) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is ethane;(3R)-3-ethylcyclopentene.

Molecular Properties

Compound Nameethane;(3R)-3-ethylcyclopentene
PubChem CID145484001
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nameethane;(3R)-3-ethylcyclopentene
SMILESCC.CC[C@H]1C=CCC1
InChIInChI=1S/C7H12.C2H6/c1-2-7-5-3-4-6-7;1-2/h3,5,7H,2,4,6H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyPFXLWZIXPZAMLZ-FJXQXJEOSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-ethylcyclooctene
CID 12870206
cyclopent-2-en-1-ylmethanethiol
CID 20648648
cyclopent-2-en-1-ylmethanamine
CID 13040869
(3S)-3-nonylcyclopentene
CID 90814175
(5Z)-3-ethylcyclodeca-1,5-diene
CID 173433007
N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine
CID 116674089
dichloro(cyclopent-2-en-1-ylmethyl)silane
CID 123155376
1-[(1S)-cyclopent-2-en-1-yl]butane-2,3-dione
CID 163985438
3-(5-ethoxyheptyl)cyclopentene
CID 160888931
N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine
CID 116674196
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
butane;3-methylcyclopentene
CID 143221247

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-ethylcyclopentene?
The IUPAC name of ethane;(3R)-3-ethylcyclopentene (CID 145484001) is ethane;(3R)-3-ethylcyclopentene.
What is the SMILES notation for ethane;(3R)-3-ethylcyclopentene?
The canonical SMILES for ethane;(3R)-3-ethylcyclopentene is CC.CC[C@H]1C=CCC1.
What is the InChIKey of ethane;(3R)-3-ethylcyclopentene?
The InChIKey is PFXLWZIXPZAMLZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H12.C2H6/c1-2-7-5-3-4-6-7;1-2/h3,5,7H,2,4,6H2,1H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(3R)-3-ethylcyclopentene?
ethane;(3R)-3-ethylcyclopentene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-ethylcyclopentene is sourced from PubChem (CID 145484001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).