2-(1-methyl-4-methylidenecyclohexyl)oxyoxane

C13H22O2 — CID 67035331

IUPAC2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(C)(OC2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3
InChIKeyQQHWUMUVOHKPCY-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane

2-(1-methyl-4-methylidenecyclohexyl)oxyoxane (PubChem CID 67035331) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane.

Molecular Properties

Compound Name2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
PubChem CID67035331
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(C)(OC2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3
InChIKeyQQHWUMUVOHKPCY-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane 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 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The IUPAC name of 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane (CID 67035331) is 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane.
What is the SMILES notation for 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The canonical SMILES for 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane is C=C1CCC(C)(OC2CCCCO2)CC1.
What is the InChIKey of 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The InChIKey is QQHWUMUVOHKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3.
What are the key properties of 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
2-(1-methyl-4-methylidenecyclohexyl)oxyoxane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-methylidenecyclohexyl)oxyoxane is sourced from PubChem (CID 67035331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).