8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one

C23H38O2Si2 — CID 134924395

IUPAC8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OCC/C(=C\[Si](C)(C)C)c1cccc2c1C(=O)CCC2
InChIInChI=1S/C23H38O2Si2/c1-23(2,3)27(7,8)25-16-15-19(17-26(4,5)6)20-13-9-11-18-12-10-14-21(24)22(18)20/h9,11,13,17H,10,12,14-16H2,1-8H3/b19-17+
InChIKeyWUIRCJYHYKRJNQ-HTXNQAPBSA-N
MW402.73 g/mol
LogP6.88
Rot. Bonds6

About 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one

8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 134924395) has the molecular formula C23H38O2Si2 and a molecular weight of 402.73 g/mol. Its IUPAC name is 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID134924395
Molecular FormulaC23H38O2Si2
Molecular Weight402.73 g/mol
Exact Mass402.24
IUPAC Name8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OCC/C(=C\[Si](C)(C)C)c1cccc2c1C(=O)CCC2
InChIInChI=1S/C23H38O2Si2/c1-23(2,3)27(7,8)25-16-15-19(17-26(4,5)6)20-13-9-11-18-12-10-14-21(24)22(18)20/h9,11,13,17H,10,12,14-16H2,1-8H3/b19-17+
InChIKeyWUIRCJYHYKRJNQ-HTXNQAPBSA-N
XLogP6.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.73
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 134924395) is 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one is CC(C)(C)[Si](C)(C)OCC/C(=C\[Si](C)(C)C)c1cccc2c1C(=O)CCC2.
What is the InChIKey of 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WUIRCJYHYKRJNQ-HTXNQAPBSA-N. The full InChI is InChI=1S/C23H38O2Si2/c1-23(2,3)27(7,8)25-16-15-19(17-26(4,5)6)20-13-9-11-18-12-10-14-21(24)22(18)20/h9,11,13,17H,10,12,14-16H2,1-8H3/b19-17+.
What are the key properties of 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 402.73 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 134924395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).