1-(ethoxymethyl)-4-methylidenecyclohexane

C10H18O — CID 564665

IUPAC1-(ethoxymethyl)-4-methylidenecyclohexane
SMILESC=C1CCC(COCC)CC1
InChIInChI=1S/C10H18O/c1-3-11-8-10-6-4-9(2)5-7-10/h10H,2-8H2,1H3
InChIKeyLJQWCHVIJIEBPD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About 1-(ethoxymethyl)-4-methylidenecyclohexane

1-(ethoxymethyl)-4-methylidenecyclohexane (PubChem CID 564665) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-methylidenecyclohexane
PubChem CID564665
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(ethoxymethyl)-4-methylidenecyclohexane
SMILESC=C1CCC(COCC)CC1
InChIInChI=1S/C10H18O/c1-3-11-8-10-6-4-9(2)5-7-10/h10H,2-8H2,1H3
InChIKeyLJQWCHVIJIEBPD-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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-methylidenecyclohexane?
The IUPAC name of 1-(ethoxymethyl)-4-methylidenecyclohexane (CID 564665) is 1-(ethoxymethyl)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-4-methylidenecyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-4-methylidenecyclohexane is C=C1CCC(COCC)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4-methylidenecyclohexane?
The InChIKey is LJQWCHVIJIEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-11-8-10-6-4-9(2)5-7-10/h10H,2-8H2,1H3.
What are the key properties of 1-(ethoxymethyl)-4-methylidenecyclohexane?
1-(ethoxymethyl)-4-methylidenecyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-methylidenecyclohexane is sourced from PubChem (CID 564665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).