2-methyl-2-(2-methylideneoctyl)oxetane

C13H24O — CID 86078830

IUPAC2-methyl-2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)CC1(C)CCO1
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-12(2)11-13(3)9-10-14-13/h2,4-11H2,1,3H3
InChIKeyKVFIDLAQNWXVNZ-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds7

About 2-methyl-2-(2-methylideneoctyl)oxetane

2-methyl-2-(2-methylideneoctyl)oxetane (PubChem CID 86078830) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylideneoctyl)oxetane.

Molecular Properties

Compound Name2-methyl-2-(2-methylideneoctyl)oxetane
PubChem CID86078830
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methyl-2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)CC1(C)CCO1
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-12(2)11-13(3)9-10-14-13/h2,4-11H2,1,3H3
InChIKeyKVFIDLAQNWXVNZ-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(2-methylideneoctyl)oxetane 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-methyl-2-(2-methylideneoctyl)oxetane?
The IUPAC name of 2-methyl-2-(2-methylideneoctyl)oxetane (CID 86078830) is 2-methyl-2-(2-methylideneoctyl)oxetane.
What is the SMILES notation for 2-methyl-2-(2-methylideneoctyl)oxetane?
The canonical SMILES for 2-methyl-2-(2-methylideneoctyl)oxetane is C=C(CCCCCC)CC1(C)CCO1.
What is the InChIKey of 2-methyl-2-(2-methylideneoctyl)oxetane?
The InChIKey is KVFIDLAQNWXVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-8-12(2)11-13(3)9-10-14-13/h2,4-11H2,1,3H3.
What are the key properties of 2-methyl-2-(2-methylideneoctyl)oxetane?
2-methyl-2-(2-methylideneoctyl)oxetane has a molecular weight of 196.33 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylideneoctyl)oxetane is sourced from PubChem (CID 86078830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).