ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate

C17H28O2Si — CID 11140893

IUPACethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate
SMILESCCOC(=O)C12CCCC1=C([Si](C)(C)C)C(=C(C)C)C2
InChIInChI=1S/C17H28O2Si/c1-7-19-16(18)17-10-8-9-14(17)15(20(4,5)6)13(11-17)12(2)3/h7-11H2,1-6H3
InChIKeyAWLRAJCHOSDNQW-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.63
Rot. Bonds3

About ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate

ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate (PubChem CID 11140893) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate
PubChem CID11140893
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Nameethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate
SMILESCCOC(=O)C12CCCC1=C([Si](C)(C)C)C(=C(C)C)C2
InChIInChI=1S/C17H28O2Si/c1-7-19-16(18)17-10-8-9-14(17)15(20(4,5)6)13(11-17)12(2)3/h7-11H2,1-6H3
InChIKeyAWLRAJCHOSDNQW-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-[tert-butyl(dimethyl)silyl]-2-methyl-5-oxo-1,3,4,6-tetrahydropentalene-2-carboxylate
CID 15364594
Diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
CID 10338826
Ethyl 6-butyl-5-propan-2-ylidene-1,2,3,4-tetrahydropentalene-3a-carboxylate
CID 11000328

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate?
The IUPAC name of ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate (CID 11140893) is ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate?
The canonical SMILES for ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate is CCOC(=O)C12CCCC1=C([Si](C)(C)C)C(=C(C)C)C2.
What is the InChIKey of ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate?
The InChIKey is AWLRAJCHOSDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-7-19-16(18)17-10-8-9-14(17)15(20(4,5)6)13(11-17)12(2)3/h7-11H2,1-6H3.
What are the key properties of ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate?
ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate has a molecular weight of 292.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-ylidene-6-trimethylsilyl-1,2,3,4-tetrahydropentalene-3a-carboxylate is sourced from PubChem (CID 11140893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).