(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol

C14H23BrO2SSi — CID 173111005

IUPAC(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol
SMILESCC(COCCC([SiH3])S)COCc1ccc(Br)cc1
InChIInChI=1S/C14H23BrO2SSi/c1-11(8-16-7-6-14(18)19)9-17-10-12-2-4-13(15)5-3-12/h2-5,11,14,18H,6-10H2,1,19H3
InChIKeyKHLQLDHUKQXLML-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.63
Rot. Bonds9

About (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol

(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol (PubChem CID 173111005) has the molecular formula C14H23BrO2SSi and a molecular weight of 363.39 g/mol. Its IUPAC name is (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol.

Molecular Properties

Compound Name(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol
PubChem CID173111005
Molecular FormulaC14H23BrO2SSi
Molecular Weight363.39 g/mol
Exact Mass362.04
IUPAC Name(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol
SMILESCC(COCCC([SiH3])S)COCc1ccc(Br)cc1
InChIInChI=1S/C14H23BrO2SSi/c1-11(8-16-7-6-14(18)19)9-17-10-12-2-4-13(15)5-3-12/h2-5,11,14,18H,6-10H2,1,19H3
InChIKeyKHLQLDHUKQXLML-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.63
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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1-Bromo-4-((pentyloxy)methyl)benzene
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4-Bromobenzyl alcohol, neopentyl ether
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4-Bromobenzyl alcohol, 2-methylbutyl ether
CID 91725368
1-Bromo-4-[6-[4-(3-methylbutoxy)butoxy]hexoxymethyl]benzene
CID 21434067
1-Bromo-4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]benzene
CID 45489674
1-Bromo-4-[(3-methoxy-2-methylpropoxy)methyl]benzene
CID 53400937

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol?
The IUPAC name of (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol (CID 173111005) is (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol.
What is the SMILES notation for (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol?
The canonical SMILES for (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol is CC(COCCC([SiH3])S)COCc1ccc(Br)cc1.
What is the InChIKey of (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol?
The InChIKey is KHLQLDHUKQXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2SSi/c1-11(8-16-7-6-14(18)19)9-17-10-12-2-4-13(15)5-3-12/h2-5,11,14,18H,6-10H2,1,19H3.
What are the key properties of (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol?
(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol has a molecular weight of 363.39 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol is sourced from PubChem (CID 173111005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).