(3S)-2-hexyl-3-methoxyoxetane

C10H20O2 — CID 139265555

IUPAC(3S)-2-hexyl-3-methoxyoxetane
SMILESCCCCCCC1OC[C@@H]1OC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(11-2)8-12-9/h9-10H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyDYWCBOUMSJCIJW-AXDSSHIGSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds6

About (3S)-2-hexyl-3-methoxyoxetane

(3S)-2-hexyl-3-methoxyoxetane (PubChem CID 139265555) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S)-2-hexyl-3-methoxyoxetane.

Molecular Properties

Compound Name(3S)-2-hexyl-3-methoxyoxetane
PubChem CID139265555
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3S)-2-hexyl-3-methoxyoxetane
SMILESCCCCCCC1OC[C@@H]1OC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(11-2)8-12-9/h9-10H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyDYWCBOUMSJCIJW-AXDSSHIGSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-2-hexyl-3-methoxyoxetane 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 (3S)-2-hexyl-3-methoxyoxetane?
The IUPAC name of (3S)-2-hexyl-3-methoxyoxetane (CID 139265555) is (3S)-2-hexyl-3-methoxyoxetane.
What is the SMILES notation for (3S)-2-hexyl-3-methoxyoxetane?
The canonical SMILES for (3S)-2-hexyl-3-methoxyoxetane is CCCCCCC1OC[C@@H]1OC.
What is the InChIKey of (3S)-2-hexyl-3-methoxyoxetane?
The InChIKey is DYWCBOUMSJCIJW-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(11-2)8-12-9/h9-10H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (3S)-2-hexyl-3-methoxyoxetane?
(3S)-2-hexyl-3-methoxyoxetane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-hexyl-3-methoxyoxetane is sourced from PubChem (CID 139265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).