8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione

C26H40O4Si — CID 154720437

IUPAC8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC2C(C1)C(=O)C1=CCC3(C)C(=O)OCC3C12C
InChIInChI=1S/C26H40O4Si/c1-16(14-30-31(7,8)24(2,3)4)17-9-10-19-18(13-17)22(27)20-11-12-25(5)21(26(19,20)6)15-29-23(25)28/h11,17-19,21H,1,9-10,12-15H2,2-8H3
InChIKeyPDYGFFARKDQOAZ-UHFFFAOYSA-N
MW444.69 g/mol
LogP5.70
Rot. Bonds4

About 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione

8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione (PubChem CID 154720437) has the molecular formula C26H40O4Si and a molecular weight of 444.69 g/mol. Its IUPAC name is 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione.

Molecular Properties

Compound Name8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione
PubChem CID154720437
Molecular FormulaC26H40O4Si
Molecular Weight444.69 g/mol
Exact Mass444.27
IUPAC Name8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC2C(C1)C(=O)C1=CCC3(C)C(=O)OCC3C12C
InChIInChI=1S/C26H40O4Si/c1-16(14-30-31(7,8)24(2,3)4)17-9-10-19-18(13-17)22(27)20-11-12-25(5)21(26(19,20)6)15-29-23(25)28/h11,17-19,21H,1,9-10,12-15H2,2-8H3
InChIKeyPDYGFFARKDQOAZ-UHFFFAOYSA-N
XLogP5.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione with MolForge

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
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3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
CID 89421667
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
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2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide
CID 167898974
methyl (1R,2S,4S)-1-(benzenesulfonyl)-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-4-hydroxycyclopentane-1-carboxylate
CID 53381246
(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one
CID 101202646
(1R,4R,8S,9S,13S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,12-dimethyl-2,11-dioxatetracyclo[6.4.1.01,9.04,13]tridecan-10-one
CID 53468895
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
17-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 91718151
3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
(4aR,4bS,7S,8aR,10aR)-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthren-9-one
CID 162859154

Frequently Asked Questions

What is the IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione?
The IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione (CID 154720437) is 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione.
What is the SMILES notation for 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione?
The canonical SMILES for 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione is C=C(CO[Si](C)(C)C(C)(C)C)C1CCC2C(C1)C(=O)C1=CCC3(C)C(=O)OCC3C12C.
What is the InChIKey of 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione?
The InChIKey is PDYGFFARKDQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O4Si/c1-16(14-30-31(7,8)24(2,3)4)17-9-10-19-18(13-17)22(27)20-11-12-25(5)21(26(19,20)6)15-29-23(25)28/h11,17-19,21H,1,9-10,12-15H2,2-8H3.
What are the key properties of 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione?
8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione has a molecular weight of 444.69 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-3a,10b-dimethyl-4,6a,7,8,9,10,10a,10c-octahydro-1H-indeno[1,2-e][2]benzofuran-3,6-dione is sourced from PubChem (CID 154720437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).