(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one

C18H36O2Si — CID 134830919

IUPAC(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C
InChIInChI=1S/C18H36O2Si/c1-11-15(19)13(3)16-12(2)14(4)21(20-16,17(5,6)7)18(8,9)10/h12-14,16H,11H2,1-10H3/t12-,13-,14+,16-/m1/s1
InChIKeyYUYDVEORDKQVMW-HGTKMLMNSA-N
MW312.57 g/mol
LogP5.57
Rot. Bonds3

About (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one

(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one (PubChem CID 134830919) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one.

Molecular Properties

Compound Name(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
PubChem CID134830919
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C
InChIInChI=1S/C18H36O2Si/c1-11-15(19)13(3)16-12(2)14(4)21(20-16,17(5,6)7)18(8,9)10/h12-14,16H,11H2,1-10H3/t12-,13-,14+,16-/m1/s1
InChIKeyYUYDVEORDKQVMW-HGTKMLMNSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 11715729
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
CID 134838174
CID 134890037
CID 134890037
(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one
CID 134954182
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
CID 135048113
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one?
The IUPAC name of (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one (CID 134830919) is (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one.
What is the SMILES notation for (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one?
The canonical SMILES for (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one is CCC(=O)[C@@H](C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C.
What is the InChIKey of (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one?
The InChIKey is YUYDVEORDKQVMW-HGTKMLMNSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-11-15(19)13(3)16-12(2)14(4)21(20-16,17(5,6)7)18(8,9)10/h12-14,16H,11H2,1-10H3/t12-,13-,14+,16-/m1/s1.
What are the key properties of (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one?
(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one has a molecular weight of 312.57 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one is sourced from PubChem (CID 134830919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).