2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

C12H20O — CID 162686808

IUPAC2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(=C)C(OCC)C1
InChIInChI=1S/C12H20O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h11-12H,2,4-8H2,1,3H3
InChIKeyHQDWIABNXNCIPQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.32
Rot. Bonds3

About 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane

2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (PubChem CID 162686808) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
PubChem CID162686808
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(=C)C(OCC)C1
InChIInChI=1S/C12H20O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h11-12H,2,4-8H2,1,3H3
InChIKeyHQDWIABNXNCIPQ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.32
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 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane (CID 162686808) is 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(=C)C(OCC)C1.
What is the InChIKey of 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
The InChIKey is HQDWIABNXNCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h11-12H,2,4-8H2,1,3H3.
What are the key properties of 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane?
2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 162686808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).