(2R)-2-hexadecyl-2-methyloxetane

C20H40O — CID 11426468

IUPAC(2R)-2-hexadecyl-2-methyloxetane
SMILESCCCCCCCCCCCCCCCC[C@]1(C)CCO1
InChIInChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21-20/h3-19H2,1-2H3/t20-/m1/s1
InChIKeyIRDXDESLIIPVDF-HXUWFJFHSA-N
MW296.54 g/mol
LogP7.04
Rot. Bonds15

About (2R)-2-hexadecyl-2-methyloxetane

(2R)-2-hexadecyl-2-methyloxetane (PubChem CID 11426468) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (2R)-2-hexadecyl-2-methyloxetane.

Molecular Properties

Compound Name(2R)-2-hexadecyl-2-methyloxetane
PubChem CID11426468
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(2R)-2-hexadecyl-2-methyloxetane
SMILESCCCCCCCCCCCCCCCC[C@]1(C)CCO1
InChIInChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21-20/h3-19H2,1-2H3/t20-/m1/s1
InChIKeyIRDXDESLIIPVDF-HXUWFJFHSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R)-2-hexadecyl-2-methyloxetane?
The IUPAC name of (2R)-2-hexadecyl-2-methyloxetane (CID 11426468) is (2R)-2-hexadecyl-2-methyloxetane.
What is the SMILES notation for (2R)-2-hexadecyl-2-methyloxetane?
The canonical SMILES for (2R)-2-hexadecyl-2-methyloxetane is CCCCCCCCCCCCCCCC[C@]1(C)CCO1.
What is the InChIKey of (2R)-2-hexadecyl-2-methyloxetane?
The InChIKey is IRDXDESLIIPVDF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21-20/h3-19H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-hexadecyl-2-methyloxetane?
(2R)-2-hexadecyl-2-methyloxetane has a molecular weight of 296.54 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexadecyl-2-methyloxetane is sourced from PubChem (CID 11426468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).