6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

C14H18BrNOSi — CID 90298544

IUPAC6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-9-12(15)6-7-13(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyTYQFWSSHPRRTTN-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.36
Rot. Bonds2

About 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 90298544) has the molecular formula C14H18BrNOSi and a molecular weight of 324.29 g/mol. Its IUPAC name is 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID90298544
Molecular FormulaC14H18BrNOSi
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-9-12(15)6-7-13(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyTYQFWSSHPRRTTN-UHFFFAOYSA-N
XLogP4.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Trimethylsilyloxy-1-cyano-1,2,3,4-tetrahydronaphthalene
CID 11746907
2-(4-Bromophenyl)-2-trimethylsilyloxypropanenitrile
CID 19424686
7-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 22934141
2-(4-Bromophenyl)-2-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 140866772
6-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 153692904
2-(5-Bromo-2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 178948848
(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile
CID 122391965
(1R)-5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 124635320
2-(3-Bromo-4-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 10980006
(1S,2S)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 71746933
(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 102101001
(2S)-2-(3-bromo-4-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 132966485

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 90298544) is 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is TYQFWSSHPRRTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-9-12(15)6-7-13(11)14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 324.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 90298544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).