5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one

C41H66N2O3Si — CID 45277882

IUPAC5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one
SMILESC=CCCCCC1CC(C2=C(CO[Si](C)(C)C(C)(C)C)CN(CCCCC=C)CC2)=CN(CCCCCOCc2ccccc2)C1=O
InChIInChI=1S/C41H66N2O3Si/c1-8-10-12-18-24-36-30-37(32-43(40(36)44)27-20-15-21-29-45-33-35-22-16-14-17-23-35)39-25-28-42(26-19-13-11-9-2)31-38(39)34-46-47(6,7)41(3,4)5/h8-9,14,16-17,22-23,32,36H,1-2,10-13,15,18-21,24-31,33-34H2,3-7H3
InChIKeyPAFRKOIUAJWMFE-UHFFFAOYSA-N
MW663.08 g/mol
LogP10.23
Rot. Bonds22

About 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one

5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one (PubChem CID 45277882) has the molecular formula C41H66N2O3Si and a molecular weight of 663.08 g/mol. Its IUPAC name is 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one
PubChem CID45277882
Molecular FormulaC41H66N2O3Si
Molecular Weight663.08 g/mol
Exact Mass662.48
IUPAC Name5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one
SMILESC=CCCCCC1CC(C2=C(CO[Si](C)(C)C(C)(C)C)CN(CCCCC=C)CC2)=CN(CCCCCOCc2ccccc2)C1=O
InChIInChI=1S/C41H66N2O3Si/c1-8-10-12-18-24-36-30-37(32-43(40(36)44)27-20-15-21-29-45-33-35-22-16-14-17-23-35)39-25-28-42(26-19-13-11-9-2)31-38(39)34-46-47(6,7)41(3,4)5/h8-9,14,16-17,22-23,32,36H,1-2,10-13,15,18-21,24-31,33-34H2,3-7H3
InChIKeyPAFRKOIUAJWMFE-UHFFFAOYSA-N
XLogP10.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.08
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(3R)-3-hex-5-enyl-5-[1-hex-5-enyl-5-[(E)-7-hydroxyhept-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one
CID 101514905
(3R)-1-[(2R,3R,7S)-2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-7-ethyl-3-methylazecan-1-yl]-3-methyl-4-phenylmethoxybutan-1-one
CID 134847008
[1-hex-5-enyl-4-[(3R)-3-hex-5-enyl-2-oxo-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-5-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl acetate
CID 134942834
(3R)-3-hex-5-enyl-5-iodo-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one
CID 134942836
(3R)-1-[(3R)-3-[(R)-butoxy(phenyl)methyl]piperidin-1-yl]-3-(cyclohexylmethyl)pentan-1-one
CID 58246568
(3R)-3-(cyclohexylmethyl)-1-[(3R)-3-[(R)-3-ethoxypropoxy(phenyl)methyl]piperidin-1-yl]hexan-1-one
CID 58246702
(9E,11S)-8-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethyl-12-[(E)-4-phenylmethoxybut-2-en-2-yl]-1-azacyclododec-9-en-2-one
CID 59865188
(9E,11S,12S)-8-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethyl-12-[(E)-4-phenylmethoxybut-2-en-2-yl]-1-azacyclododec-9-en-2-one
CID 69234744
(11S,12S)-8-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethyl-12-(4-phenylmethoxybut-2-en-2-yl)-1-azacyclododec-9-en-2-one
CID 69234747
(11S)-8-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethyl-12-(4-phenylmethoxybut-2-en-2-yl)-1-azacyclododec-9-en-2-one
CID 90942344
(9Z,11S,12S)-8-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethyl-12-[(E)-4-phenylmethoxybut-2-en-2-yl]-1-azacyclododec-9-en-2-one
CID 140532967
3-[(2-Methylpropan-2-yl)oxycarbonyl-(11-oxo-11-phenylmethoxyundecyl)amino]propyl 11-[3-[11-[3-[tert-butyl(dimethyl)silyl]oxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]undecanoyloxy]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]undecanoate
CID 10558335

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one (CID 45277882) is 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one is C=CCCCCC1CC(C2=C(CO[Si](C)(C)C(C)(C)C)CN(CCCCC=C)CC2)=CN(CCCCCOCc2ccccc2)C1=O.
What is the InChIKey of 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one?
The InChIKey is PAFRKOIUAJWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66N2O3Si/c1-8-10-12-18-24-36-30-37(32-43(40(36)44)27-20-15-21-29-45-33-35-22-16-14-17-23-35)39-25-28-42(26-19-13-11-9-2)31-38(39)34-46-47(6,7)41(3,4)5/h8-9,14,16-17,22-23,32,36H,1-2,10-13,15,18-21,24-31,33-34H2,3-7H3.
What are the key properties of 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one?
5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one has a molecular weight of 663.08 g/mol, XLogP of 10.23, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hex-5-enyl-3,6-dihydro-2H-pyridin-4-yl]-3-hex-5-enyl-1-(5-phenylmethoxypentyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 45277882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).