2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

C16H24O3Si — CID 10379595

IUPAC2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
SMILESCC(C)C1=CC(=O)C2CC=C(O[Si](C)(C)C)CC2C1=O
InChIInChI=1S/C16H24O3Si/c1-10(2)13-9-15(17)12-7-6-11(19-20(3,4)5)8-14(12)16(13)18/h6,9-10,12,14H,7-8H2,1-5H3
InChIKeyIMRRVQCWRCPCBV-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.48
Rot. Bonds3

About 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (PubChem CID 10379595) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione.

Molecular Properties

Compound Name2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
PubChem CID10379595
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
SMILESCC(C)C1=CC(=O)C2CC=C(O[Si](C)(C)C)CC2C1=O
InChIInChI=1S/C16H24O3Si/c1-10(2)13-9-15(17)12-7-6-11(19-20(3,4)5)8-14(12)16(13)18/h6,9-10,12,14H,7-8H2,1-5H3
InChIKeyIMRRVQCWRCPCBV-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.48
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

(4aR,5S,8aS)-5-methyl-6-tri(propan-2-yl)silyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 11739545
(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
(4aS,8aR)-2-iodo-3,8a-dimethyl-7-tri(propan-2-yl)silyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101247948
(4aS,8aR)-2,3,8a-trimethyl-7-tri(propan-2-yl)silyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101730951
(3aS,9aS,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-one
CID 139252599
(4aS,5S,8aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 11461786
(4aR,5R,8aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 89718132
6-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 100972471
2-Propan-2-yl-6-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 10334544
(5aS,9aR,9bR)-4-[tert-butyl(dimethyl)silyl]oxy-8,9a-dimethyl-1,2,3,5,5a,9b-hexahydrocyclopenta[a]naphthalene-6,9-dione
CID 10948407
(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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The IUPAC name of 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (CID 10379595) is 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione.
What is the SMILES notation for 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The canonical SMILES for 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is CC(C)C1=CC(=O)C2CC=C(O[Si](C)(C)C)CC2C1=O.
What is the InChIKey of 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The InChIKey is IMRRVQCWRCPCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-10(2)13-9-15(17)12-7-6-11(19-20(3,4)5)8-14(12)16(13)18/h6,9-10,12,14H,7-8H2,1-5H3.
What are the key properties of 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione has a molecular weight of 292.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is sourced from PubChem (CID 10379595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).