(3S)-2-decyl-3-methoxyoxetane

C14H28O2 — CID 139265556

IUPAC(3S)-2-decyl-3-methoxyoxetane
SMILESCCCCCCCCCCC1OC[C@@H]1OC
InChIInChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13-14(15-2)12-16-13/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1
InChIKeyIBNCSPPBASXZSD-KZUDCZAMSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds10

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

(3S)-2-decyl-3-methoxyoxetane (PubChem CID 139265556) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (3S)-2-decyl-3-methoxyoxetane.

Molecular Properties

Compound Name(3S)-2-decyl-3-methoxyoxetane
PubChem CID139265556
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(3S)-2-decyl-3-methoxyoxetane
SMILESCCCCCCCCCCC1OC[C@@H]1OC
InChIInChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13-14(15-2)12-16-13/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1
InChIKeyIBNCSPPBASXZSD-KZUDCZAMSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-decyl-3-methoxyoxetane?
The IUPAC name of (3S)-2-decyl-3-methoxyoxetane (CID 139265556) is (3S)-2-decyl-3-methoxyoxetane.
What is the SMILES notation for (3S)-2-decyl-3-methoxyoxetane?
The canonical SMILES for (3S)-2-decyl-3-methoxyoxetane is CCCCCCCCCCC1OC[C@@H]1OC.
What is the InChIKey of (3S)-2-decyl-3-methoxyoxetane?
The InChIKey is IBNCSPPBASXZSD-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13-14(15-2)12-16-13/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of (3S)-2-decyl-3-methoxyoxetane?
(3S)-2-decyl-3-methoxyoxetane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-decyl-3-methoxyoxetane is sourced from PubChem (CID 139265556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).