1-ethoxy-1-methoxy-4-methylidenecyclohexane

C10H18O2 — CID 143083151

IUPAC1-ethoxy-1-methoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)(OCC)CC1
InChIInChI=1S/C10H18O2/c1-4-12-10(11-3)7-5-9(2)6-8-10/h2,4-8H2,1,3H3
InChIKeyRHDHJGFATRYQJY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 1-ethoxy-1-methoxy-4-methylidenecyclohexane

1-ethoxy-1-methoxy-4-methylidenecyclohexane (PubChem CID 143083151) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethoxy-1-methoxy-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-methoxy-4-methylidenecyclohexane
PubChem CID143083151
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-ethoxy-1-methoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)(OCC)CC1
InChIInChI=1S/C10H18O2/c1-4-12-10(11-3)7-5-9(2)6-8-10/h2,4-8H2,1,3H3
InChIKeyRHDHJGFATRYQJY-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methoxy-4-methylidenecyclohexane?
The IUPAC name of 1-ethoxy-1-methoxy-4-methylidenecyclohexane (CID 143083151) is 1-ethoxy-1-methoxy-4-methylidenecyclohexane.
What is the SMILES notation for 1-ethoxy-1-methoxy-4-methylidenecyclohexane?
The canonical SMILES for 1-ethoxy-1-methoxy-4-methylidenecyclohexane is C=C1CCC(OC)(OCC)CC1.
What is the InChIKey of 1-ethoxy-1-methoxy-4-methylidenecyclohexane?
The InChIKey is RHDHJGFATRYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-12-10(11-3)7-5-9(2)6-8-10/h2,4-8H2,1,3H3.
What are the key properties of 1-ethoxy-1-methoxy-4-methylidenecyclohexane?
1-ethoxy-1-methoxy-4-methylidenecyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methoxy-4-methylidenecyclohexane is sourced from PubChem (CID 143083151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).