(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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Related Compounds

(3Z)-3-(1-bromopentylidene)-4-(2-methylpropyl)oxetan-2-one
CID 11323326
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
6-butyl-3,3-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 135065825
5-butyl-3,5-dimethylthiolane-2,4-dione
CID 90795208
(3S,6R)-3-(2-methylpropyl)-6-pentylpiperazine-2,5-dione
CID 157372479
(2S,4S)-2-butyl-2-methyl-4-(2-phenylethyl)oxetan-3-one
CID 134965849
3-(2-butyloxiran-2-yl)propanal
CID 85307861
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
3-butyloxiran-2-one
CID 18762090
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468

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).