N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide

C38H61NO2Si — CID 123488240

IUPACN-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C38H61NO2Si/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/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3
InChIKeyAPDXZFPFOVFAQH-UHFFFAOYSA-N
MW592.00 g/mol
LogP9.45
Rot. Bonds21

About N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide

N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide (PubChem CID 123488240) has the molecular formula C38H61NO2Si and a molecular weight of 592.00 g/mol. Its IUPAC name is N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
PubChem CID123488240
Molecular FormulaC38H61NO2Si
Molecular Weight592.00 g/mol
Exact Mass591.45
IUPAC NameN-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C38H61NO2Si/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/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3
InChIKeyAPDXZFPFOVFAQH-UHFFFAOYSA-N
XLogP9.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.00
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 10863293
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 85293305
Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
N-(5-(tert-Butyldiphenylsilyloxy)pentyl)-N-isopropylheptanamide
CID 70819093
N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide
CID 70854951
N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide
CID 70854968
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 90098397
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;heptanoic acid;N-propan-2-ylhexan-1-amine
CID 158110680
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide
CID 158641572
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
CID 158723430
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;N-[(Z)-12-hydroxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 160471601
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

Frequently Asked Questions

What is the IUPAC name of N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide (CID 123488240) is N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
The InChIKey is APDXZFPFOVFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H61NO2Si/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/h10,12,18-23,27-30,34H,7-9,11,13-17,24-26,31-33H2,1-6H3.
What are the key properties of N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide has a molecular weight of 592.00 g/mol, XLogP of 9.45, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 123488240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).