1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane

C12H22O — CID 135032406

IUPAC1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane
SMILESC/C=C/C1CCC(CCOCC)C1
InChIInChI=1S/C12H22O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3,5,11-12H,4,6-10H2,1-2H3/b5-3+
InChIKeyRIAFLMODEDGVMF-HWKANZROSA-N
MW182.31 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane

1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane (PubChem CID 135032406) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane
PubChem CID135032406
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane
SMILESC/C=C/C1CCC(CCOCC)C1
InChIInChI=1S/C12H22O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3,5,11-12H,4,6-10H2,1-2H3/b5-3+
InChIKeyRIAFLMODEDGVMF-HWKANZROSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813238
(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene
CID 170291282
5,6-Bis(ethoxymethyl)-bicyclo[2.2.1]hept-2-ene
CID 72301992
5-(Decoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 90727032
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
CID 134943279
CID 134967098
CID 134967098
2,15-Heptadecadiene, 9-(ethoxymethyl)-
CID 5364630
5-(1-Methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 12476607
3-(5-Methoxyheptyl)cyclopent-1-ene
CID 13924042
3-(5-Ethoxyheptyl)cyclopentene
CID 13924082

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane?
The IUPAC name of 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane (CID 135032406) is 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane is C/C=C/C1CCC(CCOCC)C1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane?
The InChIKey is RIAFLMODEDGVMF-HWKANZROSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3,5,11-12H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane?
1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane has a molecular weight of 182.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane is sourced from PubChem (CID 135032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).