1,3-diethoxy-2-methylidenecyclohexane

C11H20O2 — CID 91306145

IUPAC1,3-diethoxy-2-methylidenecyclohexane
SMILESC=C1C(OCC)CCCC1OCC
InChIInChI=1S/C11H20O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h10-11H,3-8H2,1-2H3
InChIKeyZDYQNDGTVJKAKK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds4

About 1,3-diethoxy-2-methylidenecyclohexane

1,3-diethoxy-2-methylidenecyclohexane (PubChem CID 91306145) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3-diethoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-diethoxy-2-methylidenecyclohexane
PubChem CID91306145
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1,3-diethoxy-2-methylidenecyclohexane
SMILESC=C1C(OCC)CCCC1OCC
InChIInChI=1S/C11H20O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h10-11H,3-8H2,1-2H3
InChIKeyZDYQNDGTVJKAKK-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-diethoxy-2-methylidenecyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2-methylidenecyclohexane?
The IUPAC name of 1,3-diethoxy-2-methylidenecyclohexane (CID 91306145) is 1,3-diethoxy-2-methylidenecyclohexane.
What is the SMILES notation for 1,3-diethoxy-2-methylidenecyclohexane?
The canonical SMILES for 1,3-diethoxy-2-methylidenecyclohexane is C=C1C(OCC)CCCC1OCC.
What is the InChIKey of 1,3-diethoxy-2-methylidenecyclohexane?
The InChIKey is ZDYQNDGTVJKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h10-11H,3-8H2,1-2H3.
What are the key properties of 1,3-diethoxy-2-methylidenecyclohexane?
1,3-diethoxy-2-methylidenecyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2-methylidenecyclohexane is sourced from PubChem (CID 91306145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).