3-butoxy-4-(2-methoxyethyl)cyclopentene

C12H22O2 — CID 118406794

IUPAC3-butoxy-4-(2-methoxyethyl)cyclopentene
SMILESCCCCOC1C=CCC1CCOC
InChIInChI=1S/C12H22O2/c1-3-4-9-14-12-7-5-6-11(12)8-10-13-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3
InChIKeyJXRJSXBGDQKCES-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds7

About 3-butoxy-4-(2-methoxyethyl)cyclopentene

3-butoxy-4-(2-methoxyethyl)cyclopentene (PubChem CID 118406794) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-butoxy-4-(2-methoxyethyl)cyclopentene.

Molecular Properties

Compound Name3-butoxy-4-(2-methoxyethyl)cyclopentene
PubChem CID118406794
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-butoxy-4-(2-methoxyethyl)cyclopentene
SMILESCCCCOC1C=CCC1CCOC
InChIInChI=1S/C12H22O2/c1-3-4-9-14-12-7-5-6-11(12)8-10-13-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3
InChIKeyJXRJSXBGDQKCES-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl N-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466013
tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466009
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
ethane;methanol;(4R)-4-methoxy-N-methyl-3-pentoxycyclohepta-1,5-dien-1-amine
CID 155704328
[(1S,2R,3S,4S,5R,6R)-2,3-dibutoxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 18394293
6-butoxycyclohexa-2,4-diene-1-carboxylic acid
CID 175024071
3-decylcyclobutene
CID 174421846
magnesium;1-methoxybutane;diiodide
CID 175076057
3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 70229825
7-pentylbicyclo[3.2.1]oct-2-ene
CID 171097691
1-methoxybutane;N-methylmethanamine
CID 144512984
1-ethyl-2-(2-methoxyethyl)cyclopentane
CID 177070820

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-(2-methoxyethyl)cyclopentene?
The IUPAC name of 3-butoxy-4-(2-methoxyethyl)cyclopentene (CID 118406794) is 3-butoxy-4-(2-methoxyethyl)cyclopentene.
What is the SMILES notation for 3-butoxy-4-(2-methoxyethyl)cyclopentene?
The canonical SMILES for 3-butoxy-4-(2-methoxyethyl)cyclopentene is CCCCOC1C=CCC1CCOC.
What is the InChIKey of 3-butoxy-4-(2-methoxyethyl)cyclopentene?
The InChIKey is JXRJSXBGDQKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-9-14-12-7-5-6-11(12)8-10-13-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-butoxy-4-(2-methoxyethyl)cyclopentene?
3-butoxy-4-(2-methoxyethyl)cyclopentene has a molecular weight of 198.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-(2-methoxyethyl)cyclopentene is sourced from PubChem (CID 118406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).