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

C14H19NOSi — CID 11746907

IUPAC1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyAMMBOYWMOPYMGK-UHFFFAOYSA-N
MW245.40 g/mol
LogP3.59
Rot. Bonds2

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

1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 11746907) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID11746907
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyAMMBOYWMOPYMGK-UHFFFAOYSA-N
XLogP3.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.59
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 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 11746907) is 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCc2ccccc21.
What is the InChIKey of 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is AMMBOYWMOPYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 245.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 11746907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).