(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione

C16H22O2Si — CID 134899107

IUPAC(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione
SMILESC[Si](C)(C)C1=C2C[C@H]3CC(=O)C=C[C@@H]3C[C@@H]2CC1=O
InChIInChI=1S/C16H22O2Si/c1-19(2,3)16-14-8-11-7-13(17)5-4-10(11)6-12(14)9-15(16)18/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyZSXXHTPYRRMUPJ-IJLUTSLNSA-N
MW274.44 g/mol
LogP3.30
Rot. Bonds1

About (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione

(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione (PubChem CID 134899107) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione.

Molecular Properties

Compound Name(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione
PubChem CID134899107
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione
SMILESC[Si](C)(C)C1=C2C[C@H]3CC(=O)C=C[C@@H]3C[C@@H]2CC1=O
InChIInChI=1S/C16H22O2Si/c1-19(2,3)16-14-8-11-7-13(17)5-4-10(11)6-12(14)9-15(16)18/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyZSXXHTPYRRMUPJ-IJLUTSLNSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314
(3aS,4aS)-1-trimethylsilyl-3,3a,4,4a,5,6-hexahydrocyclopenta[a]indene-2,7-dione
CID 10467804
(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
CID 10856412
4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
CID 21296243
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione
CID 123614198
(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one
CID 10726728
4-acetylcyclopent-2-en-1-one
CID 16753251
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
4-[4-(2-hydroxy-6-oxooxan-4-yl)cyclohexa-2,4-dien-1-yl]oxane-2,6-dione
CID 163449089

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione?
The IUPAC name of (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione (CID 134899107) is (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione.
What is the SMILES notation for (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione?
The canonical SMILES for (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione is C[Si](C)(C)C1=C2C[C@H]3CC(=O)C=C[C@@H]3C[C@@H]2CC1=O.
What is the InChIKey of (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione?
The InChIKey is ZSXXHTPYRRMUPJ-IJLUTSLNSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-19(2,3)16-14-8-11-7-13(17)5-4-10(11)6-12(14)9-15(16)18/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione?
(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione has a molecular weight of 274.44 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione is sourced from PubChem (CID 134899107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).