(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol

C19H34O3SSi — CID 10893996

IUPAC(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H34O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13,17,20H,7-9,14-15H2,1-6H3/t17-,23+/m0/s1
InChIKeyLRIXUHFCRLZFAM-GAJHUEQPSA-N
MW370.63 g/mol
LogP4.66
Rot. Bonds9

About (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol

(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol (PubChem CID 10893996) has the molecular formula C19H34O3SSi and a molecular weight of 370.63 g/mol. Its IUPAC name is (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol.

Molecular Properties

Compound Name(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
PubChem CID10893996
Molecular FormulaC19H34O3SSi
Molecular Weight370.63 g/mol
Exact Mass370.20
IUPAC Name(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H34O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13,17,20H,7-9,14-15H2,1-6H3/t17-,23+/m0/s1
InChIKeyLRIXUHFCRLZFAM-GAJHUEQPSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
trans-(1R,2R)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 11031949
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
(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
2-Butanol, 3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CID 10933197
(2S)-1,1-bis[(S)-(4-methylphenyl)sulfinyl]hexan-2-ol
CID 11188121
Tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
CID 12061429
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 12061432
(6E)-2,6-dimethyl-8-(4-methylphenyl)sulfonylocta-1,6-dien-3-ol
CID 12512857
trimethyl-[(2E)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
CID 13610767
(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol
CID 14954396

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol?
The IUPAC name of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol (CID 10893996) is (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol.
What is the SMILES notation for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol?
The canonical SMILES for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol is Cc1ccc([S@](=O)C[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol?
The InChIKey is LRIXUHFCRLZFAM-GAJHUEQPSA-N. The full InChI is InChI=1S/C19H34O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13,17,20H,7-9,14-15H2,1-6H3/t17-,23+/m0/s1.
What are the key properties of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol?
(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol has a molecular weight of 370.63 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol is sourced from PubChem (CID 10893996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).