[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate

C34H47NO4Si — CID 67591002

IUPAC[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate
SMILESCCCC/C=C\c1c(C(=O)Oc2ccc(C(=O)OC/C=C/C[Si](C)(C)C)cn2)ccc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C34H47NO4Si/c1-9-10-11-12-15-26-27(17-18-28-30(26)34(4,5)21-20-33(28,2)3)32(37)39-29-19-16-25(24-35-29)31(36)38-22-13-14-23-40(6,7)8/h12-19,24H,9-11,20-23H2,1-8H3/b14-13+,15-12-
InChIKeyWHIHFJRDFHZMRR-RREJARNKSA-N
MW561.84 g/mol
LogP8.90
Rot. Bonds11

About [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate

[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate (PubChem CID 67591002) has the molecular formula C34H47NO4Si and a molecular weight of 561.84 g/mol. Its IUPAC name is [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Name[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate
PubChem CID67591002
Molecular FormulaC34H47NO4Si
Molecular Weight561.84 g/mol
Exact Mass561.33
IUPAC Name[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate
SMILESCCCC/C=C\c1c(C(=O)Oc2ccc(C(=O)OC/C=C/C[Si](C)(C)C)cn2)ccc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C34H47NO4Si/c1-9-10-11-12-15-26-27(17-18-28-30(26)34(4,5)21-20-33(28,2)3)32(37)39-29-19-16-25(24-35-29)31(36)38-22-13-14-23-40(6,7)8/h12-19,24H,9-11,20-23H2,1-8H3/b14-13+,15-12-
InChIKeyWHIHFJRDFHZMRR-RREJARNKSA-N
XLogP8.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.84
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate with MolForge

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Related Compounds

benzyl 6-(3-hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylate
CID 10973423
6-(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)oxypyridine-3-carboxylic acid
CID 22596189
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
4-O-[(E)-dodec-2-enyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740438
6-butoxypyridine-3-carboxamide
CID 506622
ethyl 6-[2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)selanyl]ethynyl]pyridine-3-carboxylate
CID 10217042
ethyl 6-[(E)-2-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzothiophen-2-yl)prop-1-enyl]pyridine-3-carboxylate
CID 22990225
2-[4-(pentanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224480
[(E)-undec-2-enyl] 3-methylbenzoate
CID 5353078
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
(4-methylphenyl) 6-decoxypyridine-3-carboxylate
CID 20667991

Frequently Asked Questions

What is the IUPAC name of [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate?
The IUPAC name of [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate (CID 67591002) is [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate.
What is the SMILES notation for [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate?
The canonical SMILES for [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate is CCCC/C=C\c1c(C(=O)Oc2ccc(C(=O)OC/C=C/C[Si](C)(C)C)cn2)ccc2c1C(C)(C)CCC2(C)C.
What is the InChIKey of [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate?
The InChIKey is WHIHFJRDFHZMRR-RREJARNKSA-N. The full InChI is InChI=1S/C34H47NO4Si/c1-9-10-11-12-15-26-27(17-18-28-30(26)34(4,5)21-20-33(28,2)3)32(37)39-29-19-16-25(24-35-29)31(36)38-22-13-14-23-40(6,7)8/h12-19,24H,9-11,20-23H2,1-8H3/b14-13+,15-12-.
What are the key properties of [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate?
[(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate has a molecular weight of 561.84 g/mol, XLogP of 8.90, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-trimethylsilylbut-2-enyl] 6-[1-[(Z)-hex-1-enyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]oxypyridine-3-carboxylate is sourced from PubChem (CID 67591002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).