(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane

C23H32OSSi — CID 134975293

IUPAC(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane
SMILESC=CC(C)(C)C(C(SO)C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H32OSSi/c1-7-23(2,3)22(26(4,5)6)21(25-24)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17,20-22,24H,1H2,2-6H3
InChIKeyVKDNSRSOTCBFKE-UHFFFAOYSA-N
MW384.66 g/mol
LogP7.31
Rot. Bonds8

About (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane

(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane (PubChem CID 134975293) has the molecular formula C23H32OSSi and a molecular weight of 384.66 g/mol. Its IUPAC name is (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane
PubChem CID134975293
Molecular FormulaC23H32OSSi
Molecular Weight384.66 g/mol
Exact Mass384.19
IUPAC Name(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane
SMILESC=CC(C)(C)C(C(SO)C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H32OSSi/c1-7-23(2,3)22(26(4,5)6)21(25-24)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17,20-22,24H,1H2,2-6H3
InChIKeyVKDNSRSOTCBFKE-UHFFFAOYSA-N
XLogP7.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-2-phenylpent-4-en-1-ol
CID 165392453
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
1,1-diphenylbut-3-en-2-ol
CID 88826241
(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
CID 134993286
(2S)-2-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139802
[hydroperoxy(2-methylbut-3-en-2-yloxy)methyl]benzene
CID 10727068
(E)-3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-en-1-ol
CID 10922912
benzene;1-phenylprop-2-en-1-ol
CID 174884403
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
CID 139239654
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
CID 174920111

Frequently Asked Questions

What is the IUPAC name of (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane?
The IUPAC name of (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane (CID 134975293) is (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane.
What is the SMILES notation for (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane?
The canonical SMILES for (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane is C=CC(C)(C)C(C(SO)C(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane?
The InChIKey is VKDNSRSOTCBFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSSi/c1-7-23(2,3)22(26(4,5)6)21(25-24)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17,20-22,24H,1H2,2-6H3.
What are the key properties of (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane?
(2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane has a molecular weight of 384.66 g/mol, XLogP of 7.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxysulfanyl-4,4-dimethyl-1,1-diphenylhex-5-en-3-yl)-trimethylsilane is sourced from PubChem (CID 134975293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).