(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one

C15H28O2 — CID 134965703

IUPAC(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one
SMILESCCCCC1(CCCC)O[C@@H](CC(C)C)C1=O
InChIInChI=1S/C15H28O2/c1-5-7-9-15(10-8-6-2)14(16)13(17-15)11-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyCUQKRTGGFAWGRO-ZDUSSCGKSA-N
MW240.39 g/mol
LogP4.12
Rot. Bonds8

About (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one

(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one (PubChem CID 134965703) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one.

Molecular Properties

Compound Name(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one
PubChem CID134965703
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one
SMILESCCCCC1(CCCC)O[C@@H](CC(C)C)C1=O
InChIInChI=1S/C15H28O2/c1-5-7-9-15(10-8-6-2)14(16)13(17-15)11-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyCUQKRTGGFAWGRO-ZDUSSCGKSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one?
The IUPAC name of (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one (CID 134965703) is (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one.
What is the SMILES notation for (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one?
The canonical SMILES for (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one is CCCCC1(CCCC)O[C@@H](CC(C)C)C1=O.
What is the InChIKey of (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one?
The InChIKey is CUQKRTGGFAWGRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-9-15(10-8-6-2)14(16)13(17-15)11-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one?
(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one has a molecular weight of 240.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one is sourced from PubChem (CID 134965703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).