8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

C15H22O3Si — CID 20775246

IUPAC8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCO[Si](C)(CCc1cccc2c1C(=O)CCC2)OC
InChIInChI=1S/C15H22O3Si/c1-17-19(3,18-2)11-10-13-7-4-6-12-8-5-9-14(16)15(12)13/h4,6-7H,5,8-11H2,1-3H3
InChIKeyBKWNABBOKYCGSA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.11
Rot. Bonds5

About 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 20775246) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID20775246
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCO[Si](C)(CCc1cccc2c1C(=O)CCC2)OC
InChIInChI=1S/C15H22O3Si/c1-17-19(3,18-2)11-10-13-7-4-6-12-8-5-9-14(16)15(12)13/h4,6-7H,5,8-11H2,1-3H3
InChIKeyBKWNABBOKYCGSA-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 20775246) is 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is CO[Si](C)(CCc1cccc2c1C(=O)CCC2)OC.
What is the InChIKey of 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BKWNABBOKYCGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-17-19(3,18-2)11-10-13-7-4-6-12-8-5-9-14(16)15(12)13/h4,6-7H,5,8-11H2,1-3H3.
What are the key properties of 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 278.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 20775246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).