ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate

C17H30O3Si — CID 553458

IUPACethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(CCC=C(C)C)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-19-16(18)17(12-8-10-14(2)3)13-9-11-15(17)20-21(4,5)6/h10-11H,7-9,12-13H2,1-6H3
InChIKeyRCCXMLSLXHLMEA-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.81
Rot. Bonds7

About ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate

ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate (PubChem CID 553458) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
PubChem CID553458
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nameethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(CCC=C(C)C)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-19-16(18)17(12-8-10-14(2)3)13-9-11-15(17)20-21(4,5)6/h10-11H,7-9,12-13H2,1-6H3
InChIKeyRCCXMLSLXHLMEA-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate
CID 102417757
Ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
CID 134867109
Ethyl 1-methyl-2-trimethylsilyloxycyclohex-2-ene-1-carboxylate
CID 153319026
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate
CID 10519043
Ethyl 1-but-3-enyl-2-methoxy-6-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
CID 10566782
Ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 10801879
diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 11810258
methyl 3,8-dimethyl-4,5a,6,9-tetrahydro-1H-dibenzofuran-9a-carboxylate
CID 101376506

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate (CID 553458) is ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate is CCOC(=O)C1(CCC=C(C)C)CCC=C1O[Si](C)(C)C.
What is the InChIKey of ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The InChIKey is RCCXMLSLXHLMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-7-19-16(18)17(12-8-10-14(2)3)13-9-11-15(17)20-21(4,5)6/h10-11H,7-9,12-13H2,1-6H3.
What are the key properties of ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylpent-3-enyl)-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 553458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).