(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one

C16H26O2Si — CID 134859694

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one
SMILESC=C1CC2CC(=O)C=C2[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H26O2Si/c1-11-7-12-9-13(17)10-14(12)15(8-11)18-19(5,6)16(2,3)4/h10,12,15H,1,7-9H2,2-6H3/t12?,15-/m1/s1
InChIKeyNFCLUIVCELFCOT-WPZCJLIBSA-N
MW278.47 g/mol
LogP4.24
Rot. Bonds2

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one (PubChem CID 134859694) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one
PubChem CID134859694
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one
SMILESC=C1CC2CC(=O)C=C2[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H26O2Si/c1-11-7-12-9-13(17)10-14(12)15(8-11)18-19(5,6)16(2,3)4/h10,12,15H,1,7-9H2,2-6H3/t12?,15-/m1/s1
InChIKeyNFCLUIVCELFCOT-WPZCJLIBSA-N
XLogP4.24
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 ≤ 54.24
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'}

Analyze (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one with MolForge

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Related Compounds

(1S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 11543713
(4S,5S,7aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4,5,6,7,7a-hexahydroinden-2-one
CID 15422439
(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one
CID 15699653
(4S,5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1,4,5,6,7,7a-hexahydroinden-2-one
CID 24752089
(4S,7aR)-4-methoxy-3-trimethylsilyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 49818688
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-4,4a,5,8-tetrahydro-3H-naphthalen-2-one
CID 134865795
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-prop-2-enylcyclohept-2-en-1-one
CID 134967159
9-[tert-butyl(dimethyl)silyl]oxy-2,3,5,5a,6,7,8,9-octahydro-1H-benzo[g]azulen-4-one
CID 135023257
(1S,7aR)-1-((tert-butyldimethylsilyl)oxy)-7a-(3-methylbut-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
CID 162786837
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one
CID 12586043

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one (CID 134859694) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one is C=C1CC2CC(=O)C=C2[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one?
The InChIKey is NFCLUIVCELFCOT-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-11-7-12-9-13(17)10-14(12)15(8-11)18-19(5,6)16(2,3)4/h10,12,15H,1,7-9H2,2-6H3/t12?,15-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one has a molecular weight of 278.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-4,5,7,7a-tetrahydro-1H-inden-2-one is sourced from PubChem (CID 134859694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).