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

C14H18BrNOSi — CID 58951656

IUPAC7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-6-7-12(15)9-13(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyUDCKDNCNFCAOJY-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.36
Rot. Bonds2

About 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 58951656) has the molecular formula C14H18BrNOSi and a molecular weight of 324.29 g/mol. Its IUPAC name is 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID58951656
Molecular FormulaC14H18BrNOSi
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-6-7-12(15)9-13(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyUDCKDNCNFCAOJY-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 58951656) is 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is UDCKDNCNFCAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOSi/c1-18(2,3)17-14(10-16)8-4-5-11-6-7-12(15)9-13(11)14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
7-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 7-bromo-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 58951656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).