(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal

C15H24O4SSi — CID 56647594

IUPAC(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal
SMILESC[C@@](CC=O)(CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H24O4SSi/c1-15(10-12-16,19-21(2,3)4)11-13-20(17,18)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3/t15-/m1/s1
InChIKeyVJJXKCUKAMOYDV-OAHLLOKOSA-N
MW328.51 g/mol
LogP3.05
Rot. Bonds8

About (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal

(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal (PubChem CID 56647594) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal.

Molecular Properties

Compound Name(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal
PubChem CID56647594
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal
SMILESC[C@@](CC=O)(CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H24O4SSi/c1-15(10-12-16,19-21(2,3)4)11-13-20(17,18)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3/t15-/m1/s1
InChIKeyVJJXKCUKAMOYDV-OAHLLOKOSA-N
XLogP3.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,3S)-8-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-6-enal
CID 10432506
cis-(1S,2R)-1-(benzenesulfonyl)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclobutane-1-carbaldehyde
CID 134956394
4-(Benzenesulfonyl)-2-methylhept-6-enal
CID 142673693
(E)-6-(benzenesulfonyl)-4-methylhex-4-enal
CID 10890398
1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy(113C)propan-2-one
CID 11221197
3-(Benzenesulfonyl)-4-methylpentanal
CID 12241607
(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal
CID 15648987
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(R)-(4-methylphenyl)sulfinyl]butanal
CID 25033778
(3S)-6-(benzenesulfonyl)-3-[2-tri(propan-2-yl)silylethynyl]hexanal
CID 44517966
6-(Benzenesulfonyl)-4-methylhex-4-enal
CID 71340095
(2S)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal
CID 101651768
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)sulfinylbutanal
CID 102595858

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal?
The IUPAC name of (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal (CID 56647594) is (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal.
What is the SMILES notation for (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal?
The canonical SMILES for (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal is C[C@@](CC=O)(CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal?
The InChIKey is VJJXKCUKAMOYDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-15(10-12-16,19-21(2,3)4)11-13-20(17,18)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3/t15-/m1/s1.
What are the key properties of (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal?
(3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal has a molecular weight of 328.51 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(benzenesulfonyl)-3-methyl-3-trimethylsilyloxypentanal is sourced from PubChem (CID 56647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).