N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide

C38H75NO2Si2 — CID 176610509

IUPACN-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide
SMILESC=CCC(CC=C)(CC=C)CCCCCCCCCNC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C38H75NO2Si2/c1-9-13-35-42(5,6)41-43(7,8)36-28-24-20-15-14-17-21-25-29-37(40)39-34-27-23-19-16-18-22-26-33-38(30-10-2,31-11-3)32-12-4/h10-12H,2-4,9,13-36H2,1,5-8H3,(H,39,40)
InChIKeyIVEGBZXKAUILDO-UHFFFAOYSA-N
MW634.19 g/mol
LogP12.68
Rot. Bonds32

About N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide

N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide (PubChem CID 176610509) has the molecular formula C38H75NO2Si2 and a molecular weight of 634.19 g/mol. Its IUPAC name is N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide.

Molecular Properties

Compound NameN-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide
PubChem CID176610509
Molecular FormulaC38H75NO2Si2
Molecular Weight634.19 g/mol
Exact Mass633.53
IUPAC NameN-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide
SMILESC=CCC(CC=C)(CC=C)CCCCCCCCCNC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C38H75NO2Si2/c1-9-13-35-42(5,6)41-43(7,8)36-28-24-20-15-14-17-21-25-29-37(40)39-34-27-23-19-16-18-22-26-33-38(30-10-2,31-11-3)32-12-4/h10-12H,2-4,9,13-36H2,1,5-8H3,(H,39,40)
InChIKeyIVEGBZXKAUILDO-UHFFFAOYSA-N
XLogP12.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.19
LogP ≤ 512.68
H-Bond Donors ≤ 51
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

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CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide?
The IUPAC name of N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide (CID 176610509) is N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide.
What is the SMILES notation for N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide?
The canonical SMILES for N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide is C=CCC(CC=C)(CC=C)CCCCCCCCCNC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide?
The InChIKey is IVEGBZXKAUILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75NO2Si2/c1-9-13-35-42(5,6)41-43(7,8)36-28-24-20-15-14-17-21-25-29-37(40)39-34-27-23-19-16-18-22-26-33-38(30-10-2,31-11-3)32-12-4/h10-12H,2-4,9,13-36H2,1,5-8H3,(H,39,40).
What are the key properties of N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide?
N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide has a molecular weight of 634.19 g/mol, XLogP of 12.68, 32 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide is sourced from PubChem (CID 176610509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).