(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one

C16H28OSi — CID 11140009

IUPAC(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one
SMILESC[C@@H]1CCC(=O)[C@@]2(C)/C(=C\[Si](C)(C)C)CC[C@@]12C
InChIInChI=1S/C16H28OSi/c1-12-7-8-14(17)16(3)13(11-18(4,5)6)9-10-15(12,16)2/h11-12H,7-10H2,1-6H3/b13-11-/t12-,15+,16-/m1/s1
InChIKeyAFVDYUOMEUUUOM-XIMDKQLQSA-N
MW264.48 g/mol
LogP4.60
Rot. Bonds1

About (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one

(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one (PubChem CID 11140009) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one.

Molecular Properties

Compound Name(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one
PubChem CID11140009
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one
SMILESC[C@@H]1CCC(=O)[C@@]2(C)/C(=C\[Si](C)(C)C)CC[C@@]12C
InChIInChI=1S/C16H28OSi/c1-12-7-8-14(17)16(3)13(11-18(4,5)6)9-10-15(12,16)2/h11-12H,7-10H2,1-6H3/b13-11-/t12-,15+,16-/m1/s1
InChIKeyAFVDYUOMEUUUOM-XIMDKQLQSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one with MolForge

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Related Compounds

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1-[(3aS,4E,6aR)-4-(trimethylsilylmethylidene)-1,2,3,5,6,6a-hexahydropentalen-3a-yl]ethanone
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2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
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CID 146659837
methyl (3E,3aS,7aR)-4-oxo-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate
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trans-methyl (1R,2S)-1,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 11116480
(4aS,7E,7aS)-4a-tert-butyl-7a-hydroxy-1,3-dimethyl-7-(trimethylsilylmethylidene)-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
CID 102236035
8a-hydroxy-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2,8-dione
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Frequently Asked Questions

What is the IUPAC name of (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one?
The IUPAC name of (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one (CID 11140009) is (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one.
What is the SMILES notation for (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one?
The canonical SMILES for (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one is C[C@@H]1CCC(=O)[C@@]2(C)/C(=C\[Si](C)(C)C)CC[C@@]12C.
What is the InChIKey of (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one?
The InChIKey is AFVDYUOMEUUUOM-XIMDKQLQSA-N. The full InChI is InChI=1S/C16H28OSi/c1-12-7-8-14(17)16(3)13(11-18(4,5)6)9-10-15(12,16)2/h11-12H,7-10H2,1-6H3/b13-11-/t12-,15+,16-/m1/s1.
What are the key properties of (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one?
(3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one has a molecular weight of 264.48 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,3aR,7R,7aS)-3a,7,7a-trimethyl-3-(trimethylsilylmethylidene)-2,5,6,7-tetrahydro-1H-inden-4-one is sourced from PubChem (CID 11140009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).