[(E)-3-ethylpent-3-en-2-yl]cyclopentane

C12H22 — CID 163565221

IUPAC[(E)-3-ethylpent-3-en-2-yl]cyclopentane
SMILESC/C=C(\CC)C(C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-11(5-2)10(3)12-8-6-7-9-12/h4,10,12H,5-9H2,1-3H3/b11-4+
InChIKeyFUPLKWMMOHGUJD-NYYWCZLTSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds3

About [(E)-3-ethylpent-3-en-2-yl]cyclopentane

[(E)-3-ethylpent-3-en-2-yl]cyclopentane (PubChem CID 163565221) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(E)-3-ethylpent-3-en-2-yl]cyclopentane.

Molecular Properties

Compound Name[(E)-3-ethylpent-3-en-2-yl]cyclopentane
PubChem CID163565221
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(E)-3-ethylpent-3-en-2-yl]cyclopentane
SMILESC/C=C(\CC)C(C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-11(5-2)10(3)12-8-6-7-9-12/h4,10,12H,5-9H2,1-3H3/b11-4+
InChIKeyFUPLKWMMOHGUJD-NYYWCZLTSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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

propane;propan-2-ylcyclopentane
CID 91615250
ethyl 2-cyclopentylpropanoate
CID 10654733
(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
CID 11097438
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
CID 23078765
4-methylhex-4-en-3-ylcyclopentane
CID 123804742
2-cyclopentylpropanoyl chloride
CID 18426767
2-cyclohexylpropanoyl chloride
CID 3016042
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
N-butyl-2-cyclopentylpropanamide
CID 173178636
butan-2-ylcyclohexadecane
CID 123713671

Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethylpent-3-en-2-yl]cyclopentane?
The IUPAC name of [(E)-3-ethylpent-3-en-2-yl]cyclopentane (CID 163565221) is [(E)-3-ethylpent-3-en-2-yl]cyclopentane.
What is the SMILES notation for [(E)-3-ethylpent-3-en-2-yl]cyclopentane?
The canonical SMILES for [(E)-3-ethylpent-3-en-2-yl]cyclopentane is C/C=C(\CC)C(C)C1CCCC1.
What is the InChIKey of [(E)-3-ethylpent-3-en-2-yl]cyclopentane?
The InChIKey is FUPLKWMMOHGUJD-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H22/c1-4-11(5-2)10(3)12-8-6-7-9-12/h4,10,12H,5-9H2,1-3H3/b11-4+.
What are the key properties of [(E)-3-ethylpent-3-en-2-yl]cyclopentane?
[(E)-3-ethylpent-3-en-2-yl]cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethylpent-3-en-2-yl]cyclopentane is sourced from PubChem (CID 163565221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).