4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate

C25H47NO5Si — CID 72645189

IUPAC4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate
SMILESCCO[Si](CCCNC(=O)OCCC=C(C)CCC=C(C)CCC=C(C)C)(OC)OCC
InChIInChI=1S/C25H47NO5Si/c1-8-30-32(28-7,31-9-2)21-13-19-26-25(27)29-20-12-18-24(6)17-11-16-23(5)15-10-14-22(3)4/h14,16,18H,8-13,15,17,19-21H2,1-7H3,(H,26,27)
InChIKeyJSGAAVPMKGSKKI-UHFFFAOYSA-N
MW469.74 g/mol
LogP6.57
Rot. Bonds18

About 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate

4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate (PubChem CID 72645189) has the molecular formula C25H47NO5Si and a molecular weight of 469.74 g/mol. Its IUPAC name is 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate.

Molecular Properties

Compound Name4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate
PubChem CID72645189
Molecular FormulaC25H47NO5Si
Molecular Weight469.74 g/mol
Exact Mass469.32
IUPAC Name4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate
SMILESCCO[Si](CCCNC(=O)OCCC=C(C)CCC=C(C)CCC=C(C)C)(OC)OCC
InChIInChI=1S/C25H47NO5Si/c1-8-30-32(28-7,31-9-2)21-13-19-26-25(27)29-20-12-18-24(6)17-11-16-23(5)15-10-14-22(3)4/h14,16,18H,8-13,15,17,19-21H2,1-7H3,(H,26,27)
InChIKeyJSGAAVPMKGSKKI-UHFFFAOYSA-N
XLogP6.57
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.74
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl N-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]carbamate
CID 53467733
3,7,11-trimethyldodeca-2,6,10-trienyl N-pentylcarbamate
CID 123204068
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
CID 175518240
2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 59824458
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768

Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate?
The IUPAC name of 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate (CID 72645189) is 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate.
What is the SMILES notation for 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate?
The canonical SMILES for 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate is CCO[Si](CCCNC(=O)OCCC=C(C)CCC=C(C)CCC=C(C)C)(OC)OCC.
What is the InChIKey of 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate?
The InChIKey is JSGAAVPMKGSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO5Si/c1-8-30-32(28-7,31-9-2)21-13-19-26-25(27)29-20-12-18-24(6)17-11-16-23(5)15-10-14-22(3)4/h14,16,18H,8-13,15,17,19-21H2,1-7H3,(H,26,27).
What are the key properties of 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate?
4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate has a molecular weight of 469.74 g/mol, XLogP of 6.57, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate is sourced from PubChem (CID 72645189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).