1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane

C11H18O — CID 89099285

IUPAC1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane
SMILESC=C(C)OCC1CCCCC1=C
InChIInChI=1S/C11H18O/c1-9(2)12-8-11-7-5-4-6-10(11)3/h11H,1,3-8H2,2H3
InChIKeyITWTYORGPVMARX-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds3

About 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane

1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane (PubChem CID 89099285) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane
PubChem CID89099285
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane
SMILESC=C(C)OCC1CCCCC1=C
InChIInChI=1S/C11H18O/c1-9(2)12-8-11-7-5-4-6-10(11)3/h11H,1,3-8H2,2H3
InChIKeyITWTYORGPVMARX-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane 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-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane (CID 89099285) is 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane is C=C(C)OCC1CCCCC1=C.
What is the InChIKey of 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane?
The InChIKey is ITWTYORGPVMARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)12-8-11-7-5-4-6-10(11)3/h11H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane?
1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane has a molecular weight of 166.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(prop-1-en-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 89099285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).