(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one

C16H32O3Si — CID 10756660

IUPAC(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one
SMILESCCCCC[C@H](C[C@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-13(11-14-12-15(17)18-14)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyZTVYEIIOZJWKAR-KGLIPLIRSA-N
MW300.52 g/mol
LogP4.66
Rot. Bonds8

About (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one

(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one (PubChem CID 10756660) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one
PubChem CID10756660
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one
SMILESCCCCC[C@H](C[C@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-13(11-14-12-15(17)18-14)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyZTVYEIIOZJWKAR-KGLIPLIRSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl-dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone
CID 10504502
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyl-3-trimethylsilyloxetan-2-one
CID 10929596
(3S,4S)-3-hexyl-4-[(2S)-2-tri(propan-2-yl)silyloxyheptyl]oxetan-2-one
CID 11844300
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
(3Rs,4rs)-4-{(2s)-2-[t-butyl(dimethyl)silyl-oxy]heptyl}-3-hexyloxetan-2-one
CID 129750815
(3Rs,4rs)-4-[(2s)-2-{[t-butyl(dimethyl)silyl]-oxy}tridecyl]-3-hexyloxetan-2-one
CID 129758772

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one?
The IUPAC name of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one (CID 10756660) is (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one.
What is the SMILES notation for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one?
The canonical SMILES for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one is CCCCC[C@H](C[C@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one?
The InChIKey is ZTVYEIIOZJWKAR-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-8-9-10-13(11-14-12-15(17)18-14)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one?
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one has a molecular weight of 300.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one is sourced from PubChem (CID 10756660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).