3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one

C15H22OSi — CID 15828084

IUPAC3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one
SMILESC[Si](C)(C)C1=C2CCC3CCCC3=C2CC1=O
InChIInChI=1S/C15H22OSi/c1-17(2,3)15-12-8-7-10-5-4-6-11(10)13(12)9-14(15)16/h10H,4-9H2,1-3H3
InChIKeyFQOBPRMHYHAWCM-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.02
Rot. Bonds1

About 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one

3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one (PubChem CID 15828084) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one.

Molecular Properties

Compound Name3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one
PubChem CID15828084
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one
SMILESC[Si](C)(C)C1=C2CCC3CCCC3=C2CC1=O
InChIInChI=1S/C15H22OSi/c1-17(2,3)15-12-8-7-10-5-4-6-11(10)13(12)9-14(15)16/h10H,4-9H2,1-3H3
InChIKeyFQOBPRMHYHAWCM-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane
CID 11481014
1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
CID 10982328
4-(3-oxobutyl)-1,2,3,6,7,7a-hexahydroinden-5-one
CID 163741109
(3aS)-6-bromo-1,2,3,3a,4,5-hexahydropentalene
CID 95565171
6-bromo-1,2,3,3a,4,5-hexahydropentalene
CID 12863776
(2-oxo-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl) acetate
CID 102240957
3-cyclohexyl-2-methylcyclopent-2-en-1-one
CID 101018406
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
1'-methyl-3'-trimethylsilylspiro[1,3-dioxolane-2,8'-1,4,5,6,6a,7,9,10-octahydrobenzo[e]azulene]-2'-one
CID 102410370
2,3,3a,4,5,6-hexahydropentalene-1-carboxamide
CID 45084304
5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 12612699
8-methyl-2,3,5,6,7,8-hexahydro-1H-azulen-4-one
CID 130028950

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one?
The IUPAC name of 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one (CID 15828084) is 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one.
What is the SMILES notation for 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one?
The canonical SMILES for 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one is C[Si](C)(C)C1=C2CCC3CCCC3=C2CC1=O.
What is the InChIKey of 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one?
The InChIKey is FQOBPRMHYHAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2,3)15-12-8-7-10-5-4-6-11(10)13(12)9-14(15)16/h10H,4-9H2,1-3H3.
What are the key properties of 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one?
3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one has a molecular weight of 246.43 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl-4,5,5a,6,7,8-hexahydro-1H-as-indacen-2-one is sourced from PubChem (CID 15828084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).