[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane

C35H54O2SSi — CID 11146176

IUPAC[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[C@@H](c2ccccc2)C(C)(C)C)CC1Sc1ccccc1
InChIInChI=1S/C35H54O2SSi/c1-25(2)39(26(3)4,27(5)6)36-24-35(11)23-28(7)31(38-30-20-16-13-17-21-30)22-32(35)37-33(34(8,9)10)29-18-14-12-15-19-29/h12-21,23,25-27,31-33H,22,24H2,1-11H3/t31?,32-,33-,35+/m0/s1
InChIKeyPORBTQKQIFEWSU-FHMRKYRHSA-N
MW566.97 g/mol
LogP10.87
Rot. Bonds11

About [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane

[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11146176) has the molecular formula C35H54O2SSi and a molecular weight of 566.97 g/mol. Its IUPAC name is [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11146176
Molecular FormulaC35H54O2SSi
Molecular Weight566.97 g/mol
Exact Mass566.36
IUPAC Name[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[C@@H](c2ccccc2)C(C)(C)C)CC1Sc1ccccc1
InChIInChI=1S/C35H54O2SSi/c1-25(2)39(26(3)4,27(5)6)36-24-35(11)23-28(7)31(38-30-20-16-13-17-21-30)22-32(35)37-33(34(8,9)10)29-18-14-12-15-19-29/h12-21,23,25-27,31-33H,22,24H2,1-11H3/t31?,32-,33-,35+/m0/s1
InChIKeyPORBTQKQIFEWSU-FHMRKYRHSA-N
XLogP10.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.97
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane with MolForge

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Launch Full Analysis

Related Compounds

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CID 10767090
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CID 13207462
[(2R,3S,4S)-6-(benzenesulfonyl)-3-methyl-2-(4-phenylmethoxybutyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10951578
(2-Methoxy-2-phenylethyl)sulfanylbenzene
CID 14979141
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CID 16110791
[(1S,6S,8aS)-6-[2-(benzenesulfinyl)ethoxy]-8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 16723992
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CID 23727958
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CID 25135555
2-(1-Phenylethoxy)ethylsulfanylbenzene
CID 79403846
(2R,3S)-3-((2-Ethylphenyl)thio)-2-phenyltetrahydro-2H-pyran
CID 85090288
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CID 85090292
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CID 85090300

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane (CID 11146176) is [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane is CC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[C@@H](c2ccccc2)C(C)(C)C)CC1Sc1ccccc1.
What is the InChIKey of [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is PORBTQKQIFEWSU-FHMRKYRHSA-N. The full InChI is InChI=1S/C35H54O2SSi/c1-25(2)39(26(3)4,27(5)6)36-24-35(11)23-28(7)31(38-30-20-16-13-17-21-30)22-32(35)37-33(34(8,9)10)29-18-14-12-15-19-29/h12-21,23,25-27,31-33H,22,24H2,1-11H3/t31?,32-,33-,35+/m0/s1.
What are the key properties of [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane?
[(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 566.97 g/mol, XLogP of 10.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-1,3-dimethyl-4-phenylsulfanylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).