N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine

C69H110N2O3Si2 — CID 161282716

IUPACN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
SMILESCC(C)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCC(=O)N(CCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C38H61NO2Si.C31H49NOSi/c1-7-8-9-24-31-37(40)39(34(2)3)32-25-16-14-12-10-11-13-15-17-26-33-41-42(38(4,5)6,35-27-20-18-21-28-35)36-29-22-19-23-30-36;1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3;6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3/b12-10-;8-6-
InChIKeyVFHMZVAWGWOABI-BAKIAUAJSA-N
MW1071.82 g/mol
LogP16.69
Rot. Bonds37

About N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine

N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine (PubChem CID 161282716) has the molecular formula C69H110N2O3Si2 and a molecular weight of 1071.82 g/mol. Its IUPAC name is N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine.

Molecular Properties

Compound NameN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
PubChem CID161282716
Molecular FormulaC69H110N2O3Si2
Molecular Weight1071.82 g/mol
Exact Mass1070.81
IUPAC NameN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
SMILESCC(C)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCC(=O)N(CCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C38H61NO2Si.C31H49NOSi/c1-7-8-9-24-31-37(40)39(34(2)3)32-25-16-14-12-10-11-13-15-17-26-33-41-42(38(4,5)6,35-27-20-18-21-28-35)36-29-22-19-23-30-36;1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3;6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3/b12-10-;8-6-
InChIKeyVFHMZVAWGWOABI-BAKIAUAJSA-N
XLogP16.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.82
LogP ≤ 516.69
H-Bond Donors ≤ 51
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

N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046470
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
12-(2-{2-[2-(2,2-Dimethyl-1,1-diphenyl-1-silapropoxy)-ethoxy]-ethoxy}-ethoxy)-N-[2-({2-[12-(2-{2-[2-(2,2-dimethyl-1,1-diphenyl-1-silapropoxy)-ethoxy]-ethoxy}-ethoxy)-dodecanoylamino]-ethyl}-disulfanyl)-ethyl]-dodecanamide
CID 58803876
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 90098397
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 91098778
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 91530768
N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 123488240
N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
CID 157217319
5-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylpentan-1-amine;tert-butyl-pentoxy-diphenylsilane;heptan-1-one;nickel(3+);propane
CID 158067062
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;heptanoic acid;N-propan-2-ylhexan-1-amine
CID 158110680
(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane
CID 158148600
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
CID 158737144

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The IUPAC name of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine (CID 161282716) is N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine.
What is the SMILES notation for N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The canonical SMILES for N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine is CC(C)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCC(=O)N(CCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The InChIKey is VFHMZVAWGWOABI-BAKIAUAJSA-N. The full InChI is InChI=1S/C38H61NO2Si.C31H49NOSi/c1-7-8-9-24-31-37(40)39(34(2)3)32-25-16-14-12-10-11-13-15-17-26-33-41-42(38(4,5)6,35-27-20-18-21-28-35)36-29-22-19-23-30-36;1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3;6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3/b12-10-;8-6-.
What are the key properties of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine has a molecular weight of 1071.82 g/mol, XLogP of 16.69, 37 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine is sourced from PubChem (CID 161282716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).