6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C16H26O2Si — CID 100972471

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-10-14-12(11-13)7-6-8-15(14)17/h9-10,12H,6-8,11H2,1-5H3
InChIKeyBIRYOSKOUXJSLT-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.59
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 100972471) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID100972471
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-10-14-12(11-13)7-6-8-15(14)17/h9-10,12H,6-8,11H2,1-5H3
InChIKeyBIRYOSKOUXJSLT-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4aR,8aS)-2,3-dimethyl-6-tri(propan-2-yl)silyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 16049975
(3aR,9aS,9bR)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-1-one
CID 44475636
(3aS,9aS,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-one
CID 139252599
2-[Butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
CID 70136035
6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176893172
2-Propan-2-yl-6-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 10334544
2-Propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 10379595
(4aR,4bS,10aS)-9-[tert-butyl(dimethyl)silyl]oxy-2,10a-dimethyl-4b,5,6,7,8,10-hexahydro-4aH-phenanthrene-1,4-dione
CID 11057854
(4aR,4bR,10aS)-9-[tert-butyl(dimethyl)silyl]oxy-3,4a-dimethyl-5,6,7,8,10,10a-hexahydro-4bH-phenanthrene-1,4-dione
CID 11090098
(4aS,8aR)-2-tert-butyl-7-tri(propan-2-yl)silyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 101730962
(4aS,4bS,10aS)-9-[tert-butyl(dimethyl)silyl]oxy-2,10a-dimethyl-4b,5,6,7,8,10-hexahydro-4aH-phenanthrene-1,4-dione
CID 102036595
1-[3-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]-4-methylpent-3-en-2-one
CID 102158237

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 100972471) is 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CCCC2C1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is BIRYOSKOUXJSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-10-14-12(11-13)7-6-8-15(14)17/h9-10,12H,6-8,11H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 278.47 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 100972471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).