2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid

C22H43NO8Si — CID 175518240

IUPAC2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
SMILESCCO[Si](CCCCCCCOC(=O)NCCOCCC=C(C)C(=O)O)(OCC)OCC
InChIInChI=1S/C22H43NO8Si/c1-5-29-32(30-6-2,31-7-3)19-12-10-8-9-11-17-28-22(26)23-15-18-27-16-13-14-20(4)21(24)25/h14H,5-13,15-19H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRIXSVEMBOCENCW-UHFFFAOYSA-N
MW477.67 g/mol
LogP4.15
Rot. Bonds21

About 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid

2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid (PubChem CID 175518240) has the molecular formula C22H43NO8Si and a molecular weight of 477.67 g/mol. Its IUPAC name is 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
PubChem CID175518240
Molecular FormulaC22H43NO8Si
Molecular Weight477.67 g/mol
Exact Mass477.28
IUPAC Name2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
SMILESCCO[Si](CCCCCCCOC(=O)NCCOCCC=C(C)C(=O)O)(OCC)OCC
InChIInChI=1S/C22H43NO8Si/c1-5-29-32(30-6-2,31-7-3)19-12-10-8-9-11-17-28-22(26)23-15-18-27-16-13-14-20(4)21(24)25/h14H,5-13,15-19H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRIXSVEMBOCENCW-UHFFFAOYSA-N
XLogP4.15
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
CID 162204652
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
4,8,12-trimethyltrideca-3,7,11-trienyl N-[3-[diethoxy(methoxy)silyl]propyl]carbamate
CID 72645189
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid?
The IUPAC name of 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid (CID 175518240) is 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid?
The canonical SMILES for 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid is CCO[Si](CCCCCCCOC(=O)NCCOCCC=C(C)C(=O)O)(OCC)OCC.
What is the InChIKey of 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid?
The InChIKey is RIXSVEMBOCENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO8Si/c1-5-29-32(30-6-2,31-7-3)19-12-10-8-9-11-17-28-22(26)23-15-18-27-16-13-14-20(4)21(24)25/h14H,5-13,15-19H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid?
2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid has a molecular weight of 477.67 g/mol, XLogP of 4.15, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid is sourced from PubChem (CID 175518240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).