(2S)-2-methyl-2-octyloxetane

C12H24O — CID 25231247

IUPAC(2S)-2-methyl-2-octyloxetane
SMILESCCCCCCCC[C@@]1(C)CCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13-12/h3-11H2,1-2H3/t12-/m0/s1
InChIKeyZJVXTRLZJDVGKL-LBPRGKRZSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds7

About (2S)-2-methyl-2-octyloxetane

(2S)-2-methyl-2-octyloxetane (PubChem CID 25231247) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (2S)-2-methyl-2-octyloxetane.

Molecular Properties

Compound Name(2S)-2-methyl-2-octyloxetane
PubChem CID25231247
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(2S)-2-methyl-2-octyloxetane
SMILESCCCCCCCC[C@@]1(C)CCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13-12/h3-11H2,1-2H3/t12-/m0/s1
InChIKeyZJVXTRLZJDVGKL-LBPRGKRZSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-2-octyloxetane 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 (2S)-2-methyl-2-octyloxetane?
The IUPAC name of (2S)-2-methyl-2-octyloxetane (CID 25231247) is (2S)-2-methyl-2-octyloxetane.
What is the SMILES notation for (2S)-2-methyl-2-octyloxetane?
The canonical SMILES for (2S)-2-methyl-2-octyloxetane is CCCCCCCC[C@@]1(C)CCO1.
What is the InChIKey of (2S)-2-methyl-2-octyloxetane?
The InChIKey is ZJVXTRLZJDVGKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13-12/h3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-2-octyloxetane?
(2S)-2-methyl-2-octyloxetane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-octyloxetane is sourced from PubChem (CID 25231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).