(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione

C15H20O2Si — CID 10467804

IUPAC(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione
SMILESC[Si](C)(C)C1=C2C3=CC(=O)CC[C@H]3C[C@H]2CC1=O
InChIInChI=1S/C15H20O2Si/c1-18(2,3)15-13(17)7-10-6-9-4-5-11(16)8-12(9)14(10)15/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyLVNBPASEDUQLLZ-UWVGGRQHSA-N
MW260.41 g/mol
LogP3.06
Rot. Bonds1

About (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione

(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione (PubChem CID 10467804) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione.

Molecular Properties

Compound Name(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione
PubChem CID10467804
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione
SMILESC[Si](C)(C)C1=C2C3=CC(=O)CC[C@H]3C[C@H]2CC1=O
InChIInChI=1S/C15H20O2Si/c1-18(2,3)15-13(17)7-10-6-9-4-5-11(16)8-12(9)14(10)15/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyLVNBPASEDUQLLZ-UWVGGRQHSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione with MolForge

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Related Compounds

(5S,6aR)-5-hydroxy-10-trimethylsilyl-6,6a,7,8-tetrahydro-5H-benzo[h]isoquinolin-9-one
CID 102165151
(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione
CID 134899107
1,2,9,9a-tetrahydrofluoren-3-one
CID 12514901
1,4-dimethyl-3,5,6,6a,7,8-hexahydrobenzo[e]azulene-2,9-dione
CID 102410357
6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 19835402
8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane
CID 143668944
6-methylidene-4,4a,5,7,8,9-hexahydro-3H-benzo[7]annulen-2-one
CID 13461202
(3aR)-4-ethynyl-11b-hydroxy-3a,6-dimethyl-1,2,3,4,5,9,10,10a,11,11a-decahydrocyclopenta[a]anthracen-8-one
CID 18635360
tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
CID 13070254
1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
CID 10982328
(3aR)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
CID 18635341
(4aS,8R)-8-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 98653489

Frequently Asked Questions

What is the IUPAC name of (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione?
The IUPAC name of (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione (CID 10467804) is (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione.
What is the SMILES notation for (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione?
The canonical SMILES for (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione is C[Si](C)(C)C1=C2C3=CC(=O)CC[C@H]3C[C@H]2CC1=O.
What is the InChIKey of (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione?
The InChIKey is LVNBPASEDUQLLZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-18(2,3)15-13(17)7-10-6-9-4-5-11(16)8-12(9)14(10)15/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione?
(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione has a molecular weight of 260.41 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione is sourced from PubChem (CID 10467804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).