[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane

C14H23BrO2SSi — CID 173108452

IUPAC[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane
SMILESCCC[SiH2]SOC[C@H](C)COCc1ccc(Br)cc1
InChIInChI=1S/C14H23BrO2SSi/c1-3-8-19-18-17-10-12(2)9-16-11-13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,19H2,1-2H3/t12-/m1/s1
InChIKeyRWSCIZBLQSMETJ-GFCCVEGCSA-N
MW363.39 g/mol
LogP4.18
Rot. Bonds10

About [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane

[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane (PubChem CID 173108452) has the molecular formula C14H23BrO2SSi and a molecular weight of 363.39 g/mol. Its IUPAC name is [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane.

Molecular Properties

Compound Name[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane
PubChem CID173108452
Molecular FormulaC14H23BrO2SSi
Molecular Weight363.39 g/mol
Exact Mass362.04
IUPAC Name[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane
SMILESCCC[SiH2]SOC[C@H](C)COCc1ccc(Br)cc1
InChIInChI=1S/C14H23BrO2SSi/c1-3-8-19-18-17-10-12(2)9-16-11-13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,19H2,1-2H3/t12-/m1/s1
InChIKeyRWSCIZBLQSMETJ-GFCCVEGCSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
CID 82827251
(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol
CID 173111005
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
4-(2-methylbutoxymethyl)aniline
CID 62103627
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 82828085
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane?
The IUPAC name of [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane (CID 173108452) is [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane.
What is the SMILES notation for [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane?
The canonical SMILES for [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane is CCC[SiH2]SOC[C@H](C)COCc1ccc(Br)cc1.
What is the InChIKey of [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane?
The InChIKey is RWSCIZBLQSMETJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23BrO2SSi/c1-3-8-19-18-17-10-12(2)9-16-11-13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,19H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane?
[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane has a molecular weight of 363.39 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane is sourced from PubChem (CID 173108452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).