1-methyl-1-trimethylsilyloxynaphthalen-2-one

C14H18O2Si — CID 10800462

IUPAC1-methyl-1-trimethylsilyloxynaphthalen-2-one
SMILESCC1(O[Si](C)(C)C)C(=O)C=Cc2ccccc21
InChIInChI=1S/C14H18O2Si/c1-14(16-17(2,3)4)12-8-6-5-7-11(12)9-10-13(14)15/h5-10H,1-4H3
InChIKeyNRFHHTNWLIQUGU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.35
Rot. Bonds2

About 1-methyl-1-trimethylsilyloxynaphthalen-2-one

1-methyl-1-trimethylsilyloxynaphthalen-2-one (PubChem CID 10800462) has the molecular formula C14H18O2Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-methyl-1-trimethylsilyloxynaphthalen-2-one.

Molecular Properties

Compound Name1-methyl-1-trimethylsilyloxynaphthalen-2-one
PubChem CID10800462
Molecular FormulaC14H18O2Si
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-methyl-1-trimethylsilyloxynaphthalen-2-one
SMILESCC1(O[Si](C)(C)C)C(=O)C=Cc2ccccc21
InChIInChI=1S/C14H18O2Si/c1-14(16-17(2,3)4)12-8-6-5-7-11(12)9-10-13(14)15/h5-10H,1-4H3
InChIKeyNRFHHTNWLIQUGU-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.35
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

ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
CID 91247385
3'-acetyl-3'-methylspiro[naphthalene-1,2'-oxirane]-2-one
CID 603721
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one
CID 177476940
methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 90362386
trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride
CID 19777591
1-bromo-1-[(2-methylphenyl)methyl]naphthalen-2-one
CID 132549980
[1-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-2-iodoethyl] acetate
CID 10047738
2,2,7,7,16,16,21,21-octamethyl-31,34-dioxaheptacyclo[20.6.2.28,15.11,22.18,15.09,14.023,28]tetratriaconta-4,9,11,13,18,23,25,27-octaene-3,6,17,20-tetrone
CID 4191695
3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
CID 132540245
(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
CID 132535386

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-trimethylsilyloxynaphthalen-2-one?
The IUPAC name of 1-methyl-1-trimethylsilyloxynaphthalen-2-one (CID 10800462) is 1-methyl-1-trimethylsilyloxynaphthalen-2-one.
What is the SMILES notation for 1-methyl-1-trimethylsilyloxynaphthalen-2-one?
The canonical SMILES for 1-methyl-1-trimethylsilyloxynaphthalen-2-one is CC1(O[Si](C)(C)C)C(=O)C=Cc2ccccc21.
What is the InChIKey of 1-methyl-1-trimethylsilyloxynaphthalen-2-one?
The InChIKey is NRFHHTNWLIQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2Si/c1-14(16-17(2,3)4)12-8-6-5-7-11(12)9-10-13(14)15/h5-10H,1-4H3.
What are the key properties of 1-methyl-1-trimethylsilyloxynaphthalen-2-one?
1-methyl-1-trimethylsilyloxynaphthalen-2-one has a molecular weight of 246.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-trimethylsilyloxynaphthalen-2-one is sourced from PubChem (CID 10800462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).