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

C38H61NO2Si — CID 90098397

IUPACN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCC/C=C\CCCCCCO[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/b12-10-
InChIKeyAPDXZFPFOVFAQH-BENRWUELSA-N
MW592.00 g/mol
LogP9.45
Rot. Bonds21

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

N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide (PubChem CID 90098397) has the molecular formula C38H61NO2Si and a molecular weight of 592.00 g/mol. Its IUPAC name is N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
PubChem CID90098397
Molecular FormulaC38H61NO2Si
Molecular Weight592.00 g/mol
Exact Mass591.45
IUPAC NameN-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCC/C=C\CCCCCCO[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/b12-10-
InChIKeyAPDXZFPFOVFAQH-BENRWUELSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide (CID 90098397) is N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide is 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?
The InChIKey is APDXZFPFOVFAQH-BENRWUELSA-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/b12-10-.
What are the key properties of N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide?
N-[(Z)-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-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 90098397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).