(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol

C19H34O4SSi — CID 11784011

IUPAC(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol
SMILESCC(O)CC([C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O4SSi/c1-15(14-23-25(6,7)19(3,4)5)18(13-16(2)20)24(21,22)17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16?,18?/m1/s1
InChIKeyOFYLVGXANVODOM-KLHKWILBSA-N
MW386.63 g/mol
LogP4.26
Rot. Bonds8

About (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol

(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol (PubChem CID 11784011) has the molecular formula C19H34O4SSi and a molecular weight of 386.63 g/mol. Its IUPAC name is (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol.

Molecular Properties

Compound Name(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol
PubChem CID11784011
Molecular FormulaC19H34O4SSi
Molecular Weight386.63 g/mol
Exact Mass386.19
IUPAC Name(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol
SMILESCC(O)CC([C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O4SSi/c1-15(14-23-25(6,7)19(3,4)5)18(13-16(2)20)24(21,22)17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16?,18?/m1/s1
InChIKeyOFYLVGXANVODOM-KLHKWILBSA-N
XLogP4.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
(1R,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 340334
(1R,4R,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11246486
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
(1R,4R)-3-[2-(benzenesulfinyl)ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohex-2-en-1-ol
CID 10549449
(1S,4R)-3-[2-(benzenesulfinyl)ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohex-2-en-1-ol
CID 10549450
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
(3R,4aS,5R,8S,9Z,10aS)-5-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxy-7,7,10a-trimethyl-3,4,4a,5,6,8-hexahydrobenzo[8]annulen-3-ol
CID 10814952
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol?
The IUPAC name of (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol (CID 11784011) is (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol.
What is the SMILES notation for (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol?
The canonical SMILES for (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol is CC(O)CC([C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol?
The InChIKey is OFYLVGXANVODOM-KLHKWILBSA-N. The full InChI is InChI=1S/C19H34O4SSi/c1-15(14-23-25(6,7)19(3,4)5)18(13-16(2)20)24(21,22)17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16?,18?/m1/s1.
What are the key properties of (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol?
(5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol has a molecular weight of 386.63 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-ol is sourced from PubChem (CID 11784011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).