1-ethyl-4-prop-2-enoxycyclohexane

C11H20O — CID 163991931

IUPAC1-ethyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(CC)CC1
InChIInChI=1S/C11H20O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h3,10-11H,1,4-9H2,2H3
InChIKeyXGBHJNQMOKDHQB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About 1-ethyl-4-prop-2-enoxycyclohexane

1-ethyl-4-prop-2-enoxycyclohexane (PubChem CID 163991931) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethyl-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-ethyl-4-prop-2-enoxycyclohexane
PubChem CID163991931
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-ethyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(CC)CC1
InChIInChI=1S/C11H20O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h3,10-11H,1,4-9H2,2H3
InChIKeyXGBHJNQMOKDHQB-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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-ethyl-4-prop-2-enoxycyclohexane?
The IUPAC name of 1-ethyl-4-prop-2-enoxycyclohexane (CID 163991931) is 1-ethyl-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-ethyl-4-prop-2-enoxycyclohexane?
The canonical SMILES for 1-ethyl-4-prop-2-enoxycyclohexane is C=CCOC1CCC(CC)CC1.
What is the InChIKey of 1-ethyl-4-prop-2-enoxycyclohexane?
The InChIKey is XGBHJNQMOKDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-ethyl-4-prop-2-enoxycyclohexane?
1-ethyl-4-prop-2-enoxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 163991931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).