(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one

C12H20OSi — CID 5366693

IUPAC(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one
SMILESC[Si](C)(C)/C=C1\CC2CCC(=O)C2C1
InChIInChI=1S/C12H20OSi/c1-14(2,3)8-9-6-10-4-5-12(13)11(10)7-9/h8,10-11H,4-7H2,1-3H3/b9-8+
InChIKeyBXMFXYVTPRLQNU-CMDGGOBGSA-N
MW208.38 g/mol
LogP3.18
Rot. Bonds1

About (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one

(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one (PubChem CID 5366693) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one.

Molecular Properties

Compound Name(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one
PubChem CID5366693
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one
SMILESC[Si](C)(C)/C=C1\CC2CCC(=O)C2C1
InChIInChI=1S/C12H20OSi/c1-14(2,3)8-9-6-10-4-5-12(13)11(10)7-9/h8,10-11H,4-7H2,1-3H3/b9-8+
InChIKeyBXMFXYVTPRLQNU-CMDGGOBGSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one?
The IUPAC name of (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one (CID 5366693) is (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one.
What is the SMILES notation for (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one?
The canonical SMILES for (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one is C[Si](C)(C)/C=C1\CC2CCC(=O)C2C1.
What is the InChIKey of (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one?
The InChIKey is BXMFXYVTPRLQNU-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)8-9-6-10-4-5-12(13)11(10)7-9/h8,10-11H,4-7H2,1-3H3/b9-8+.
What are the key properties of (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one?
(5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one has a molecular weight of 208.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(trimethylsilylmethylidene)-2,3,3a,4,6,6a-hexahydropentalen-1-one is sourced from PubChem (CID 5366693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).