(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

C15H21NO2Si — CID 124642220

IUPAC(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCOc1cccc2c1CC[C@@](C#N)(O[Si](C)(C)C)C2
InChIInChI=1S/C15H21NO2Si/c1-17-14-7-5-6-12-10-15(11-16,9-8-13(12)14)18-19(2,3)4/h5-7H,8-10H2,1-4H3/t15-/m1/s1
InChIKeyLLULZWMOXSBBSN-OAHLLOKOSA-N
MW275.42 g/mol
LogP3.30
Rot. Bonds3

About (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 124642220) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID124642220
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCOc1cccc2c1CC[C@@](C#N)(O[Si](C)(C)C)C2
InChIInChI=1S/C15H21NO2Si/c1-17-14-7-5-6-12-10-15(11-16,9-8-13(12)14)18-19(2,3)4/h5-7H,8-10H2,1-4H3/t15-/m1/s1
InChIKeyLLULZWMOXSBBSN-OAHLLOKOSA-N
XLogP3.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
CID 166226224
2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 90713435

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 124642220) is (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is COc1cccc2c1CC[C@@](C#N)(O[Si](C)(C)C)C2.
What is the InChIKey of (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is LLULZWMOXSBBSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-17-14-7-5-6-12-10-15(11-16,9-8-13(12)14)18-19(2,3)4/h5-7H,8-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 124642220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).