methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate

C16H24O3Si — CID 582013

IUPACmethyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
SMILESCOC(=O)CC1c2ccccc2CCC1O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-18-16(17)11-14-13-8-6-5-7-12(13)9-10-15(14)19-20(2,3)4/h5-8,14-15H,9-11H2,1-4H3
InChIKeyRZLKQOPOOKBFAC-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate

methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate (PubChem CID 582013) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
PubChem CID582013
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
SMILESCOC(=O)CC1c2ccccc2CCC1O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-18-16(17)11-14-13-8-6-5-7-12(13)9-10-15(14)19-20(2,3)4/h5-8,14-15H,9-11H2,1-4H3
InChIKeyRZLKQOPOOKBFAC-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.50
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

methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 71059183
2-methoxy-1-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalene
CID 582364
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
methyl 2-(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate
CID 83985359
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
3-[2-(2,3-dihydro-1H-inden-1-yl)propan-2-yloxy]-3-oxopropanoic acid
CID 170442750

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate (CID 582013) is methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate is COC(=O)CC1c2ccccc2CCC1O[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The InChIKey is RZLKQOPOOKBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-18-16(17)11-14-13-8-6-5-7-12(13)9-10-15(14)19-20(2,3)4/h5-8,14-15H,9-11H2,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate has a molecular weight of 292.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate is sourced from PubChem (CID 582013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).