benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C25H39NO3Si — CID 10788725

IUPACbenzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-8-23-15-12-16-24(18-29-30(19(2)3,20(4)5)21(6)7)26(23)25(27)28-17-22-13-10-9-11-14-22/h8-11,13-15,19-21,24H,1,12,16-18H2,2-7H3
InChIKeyWOQFZXGPAPFBDN-UHFFFAOYSA-N
MW429.68 g/mol
LogP7.05
Rot. Bonds9

About benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate

benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10788725) has the molecular formula C25H39NO3Si and a molecular weight of 429.68 g/mol. Its IUPAC name is benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10788725
Molecular FormulaC25H39NO3Si
Molecular Weight429.68 g/mol
Exact Mass429.27
IUPAC Namebenzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-8-23-15-12-16-24(18-29-30(19(2)3,20(4)5)21(6)7)26(23)25(27)28-17-22-13-10-9-11-14-22/h8-11,13-15,19-21,24H,1,12,16-18H2,2-7H3
InChIKeyWOQFZXGPAPFBDN-UHFFFAOYSA-N
XLogP7.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 5-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 118388619
Trifluoromethanesulfonic acid (2S,3R)-N-(Benzyloxycarbonyl)-2-methyl-3-(triisopropylsiloxy)-1,2,3,4-tetrahydropyridin-6-yl ester
CID 10697944
Trifluoromethanesulfonic acid N-(Benzyloxycarbonyl)-2-(triisopropylsiloxymethyl)-1,2,3,4-tetrahydropyridin-6-yl ester
CID 10745271
benzyl 5-prop-1-en-2-yl-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11427329
benzyl 6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 5074529
benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10563109
benzyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10614116
benzyl 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 10638942
Benzyl 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 10755735
benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10849879
benzyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 134834963
benzyl 2-methyl-2H-pyridine-1-carboxylate
CID 10933258

Frequently Asked Questions

What is the IUPAC name of benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10788725) is benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate is C=CC1=CCCC(CO[Si](C(C)C)(C(C)C)C(C)C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WOQFZXGPAPFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO3Si/c1-8-23-15-12-16-24(18-29-30(19(2)3,20(4)5)21(6)7)26(23)25(27)28-17-22-13-10-9-11-14-22/h8-11,13-15,19-21,24H,1,12,16-18H2,2-7H3.
What are the key properties of benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 429.68 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-ethenyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10788725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).