(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol

C11H20O2 — CID 130270426

IUPAC(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol
SMILESCCOC(O)/C=C(\C)C1CCCC1
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-9(2)10-6-4-5-7-10/h8,10-12H,3-7H2,1-2H3/b9-8+
InChIKeyHWFLXRRWLIMKRH-CMDGGOBGSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds4

About (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol

(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol (PubChem CID 130270426) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol
PubChem CID130270426
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol
SMILESCCOC(O)/C=C(\C)C1CCCC1
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-9(2)10-6-4-5-7-10/h8,10-12H,3-7H2,1-2H3/b9-8+
InChIKeyHWFLXRRWLIMKRH-CMDGGOBGSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
ethyl (E)-3-cyclobutylbut-2-enoate
CID 89095848
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
CID 116709413
[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
CID 11403548
2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
CID 71378000
(E)-4-cyclohexyl-N-ethylpent-3-en-2-imine
CID 142125943
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
[(E)-3-cyclohexylbut-2-enyl] methyl carbonate
CID 11031157
2-ethoxypropylcyclohexane
CID 57126788

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol?
The IUPAC name of (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol (CID 130270426) is (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol.
What is the SMILES notation for (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol?
The canonical SMILES for (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol is CCOC(O)/C=C(\C)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol?
The InChIKey is HWFLXRRWLIMKRH-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-13-11(12)8-9(2)10-6-4-5-7-10/h8,10-12H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol?
(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol is sourced from PubChem (CID 130270426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).