1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane

C13H24O — CID 22095340

IUPAC1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(OCC)CC1
InChIInChI=1S/C13H24O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeyGYMWFKGZZXHZJP-HWKANZROSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds5

About 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane

1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 22095340) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID22095340
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(OCC)CC1
InChIInChI=1S/C13H24O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeyGYMWFKGZZXHZJP-HWKANZROSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane (CID 22095340) is 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane is C/C=C/CCC1CCC(OCC)CC1.
What is the InChIKey of 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is GYMWFKGZZXHZJP-HWKANZROSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane?
1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 22095340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).