1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one

C20H30O2Si — CID 123160452

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30O2Si/c1-7-8-12-18(21)16-10-9-11-17-15(16)13-14-19(17)22-23(5,6)20(2,3)4/h7,9-11,19H,1,8,12-14H2,2-6H3
InChIKeyWLUIBLDBNXQKCS-UHFFFAOYSA-N
MW330.54 g/mol
LogP5.84
Rot. Bonds6

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one

1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one (PubChem CID 123160452) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
PubChem CID123160452
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30O2Si/c1-7-8-12-18(21)16-10-9-11-17-15(16)13-14-19(17)22-23(5,6)20(2,3)4/h7,9-11,19H,1,8,12-14H2,2-6H3
InChIKeyWLUIBLDBNXQKCS-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 77359834
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
CID 77360299
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
CID 67812161
tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 123807630
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
CID 175133450
tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 123396288
tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67814830
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
tert-butyl-[(7-ethenyl-6-methyl-10-prop-2-enoxy-2,3-dihydro-1H-indeno[5,4-f][1]benzofuran-3-yl)oxy]-dimethylsilane
CID 11293453
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978
N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
CID 150629221
2-[2-[[3-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2-chlorobenzoyl]amino]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid
CID 175130689

Frequently Asked Questions

What is the IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one (CID 123160452) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one is C=CCCC(=O)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one?
The InChIKey is WLUIBLDBNXQKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-7-8-12-18(21)16-10-9-11-17-15(16)13-14-19(17)22-23(5,6)20(2,3)4/h7,9-11,19H,1,8,12-14H2,2-6H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one?
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one has a molecular weight of 330.54 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one is sourced from PubChem (CID 123160452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).