1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane

C12H22O — CID 21495819

IUPAC1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(COCC)CC1
InChIInChI=1S/C12H22O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3/h11-12H,2,4-9H2,1,3H3
InChIKeyGCIBDBQYXSAPSO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.41
Rot. Bonds4

About 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane

1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane (PubChem CID 21495819) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane
PubChem CID21495819
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(COCC)CC1
InChIInChI=1S/C12H22O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3/h11-12H,2,4-9H2,1,3H3
InChIKeyGCIBDBQYXSAPSO-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.41
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-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane (CID 21495819) is 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(COCC)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane?
The InChIKey is GCIBDBQYXSAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3/h11-12H,2,4-9H2,1,3H3.
What are the key properties of 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane?
1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 21495819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).