ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

C16H26O4Si — CID 15093069

IUPACethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESC=CC1C=C(C(=O)OCC)CC=CC1(OC)O[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-7-14-12-13(15(17)19-8-2)10-9-11-16(14,18-3)20-21(4,5)6/h7,9,11-12,14H,1,8,10H2,2-6H3
InChIKeyUOMILSNLCWLQPG-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.43
Rot. Bonds6

About ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 15093069) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID15093069
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Nameethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESC=CC1C=C(C(=O)OCC)CC=CC1(OC)O[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-7-14-12-13(15(17)19-8-2)10-9-11-16(14,18-3)20-21(4,5)6/h7,9,11-12,14H,1,8,10H2,2-6H3
InChIKeyUOMILSNLCWLQPG-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642677
Diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093060
Diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093065
Tert-butyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093067
Methyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093068
Diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15642655
ethyl (2E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhepta-2,6-dienoate
CID 42624978
ethyl (E,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethoxymethyl]-2-methylhex-2-enoate
CID 44477892
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-2,3-dihydropyran-6-one
CID 46180224
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-4,6-dimethyl-3,4-dihydro-2H-oxepin-7-one
CID 71816828
ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
CID 134841576
(3E,5R,6R,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-9-ethoxy-3,6,8-trimethyl-9-oxonona-3,7-dienoic acid
CID 134841662

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 15093069) is ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is C=CC1C=C(C(=O)OCC)CC=CC1(OC)O[Si](C)(C)C.
What is the InChIKey of ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is UOMILSNLCWLQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-14-12-13(15(17)19-8-2)10-9-11-16(14,18-3)20-21(4,5)6/h7,9,11-12,14H,1,8,10H2,2-6H3.
What are the key properties of ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 15093069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).