2-methyl-6-trimethoxysilylundec-2-enoic acid

C15H30O5Si — CID 154490911

IUPAC2-methyl-6-trimethoxysilylundec-2-enoic acid
SMILESCCCCCC(CCC=C(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C15H30O5Si/c1-6-7-8-11-14(21(18-3,19-4)20-5)12-9-10-13(2)15(16)17/h10,14H,6-9,11-12H2,1-5H3,(H,16,17)
InChIKeyIMKWDLLYYPXGTQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.63
Rot. Bonds12

About 2-methyl-6-trimethoxysilylundec-2-enoic acid

2-methyl-6-trimethoxysilylundec-2-enoic acid (PubChem CID 154490911) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-methyl-6-trimethoxysilylundec-2-enoic acid.

Molecular Properties

Compound Name2-methyl-6-trimethoxysilylundec-2-enoic acid
PubChem CID154490911
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-methyl-6-trimethoxysilylundec-2-enoic acid
SMILESCCCCCC(CCC=C(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C15H30O5Si/c1-6-7-8-11-14(21(18-3,19-4)20-5)12-9-10-13(2)15(16)17/h10,14H,6-9,11-12H2,1-5H3,(H,16,17)
InChIKeyIMKWDLLYYPXGTQ-UHFFFAOYSA-N
XLogP3.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-6-trimethoxysilylundec-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

2,8-dimethylhexadec-2-enoic acid
CID 90737317
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methyl-6-propyldec-2-enoic acid
CID 123148332
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
13-formyl-2-methylhenicos-2-enoic acid
CID 123997925
5-(2-decyltetradecoxy)-2-methylpent-2-enoic acid
CID 173008907
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-trimethoxysilylundec-2-enoic acid?
The IUPAC name of 2-methyl-6-trimethoxysilylundec-2-enoic acid (CID 154490911) is 2-methyl-6-trimethoxysilylundec-2-enoic acid.
What is the SMILES notation for 2-methyl-6-trimethoxysilylundec-2-enoic acid?
The canonical SMILES for 2-methyl-6-trimethoxysilylundec-2-enoic acid is CCCCCC(CCC=C(C)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-6-trimethoxysilylundec-2-enoic acid?
The InChIKey is IMKWDLLYYPXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-6-7-8-11-14(21(18-3,19-4)20-5)12-9-10-13(2)15(16)17/h10,14H,6-9,11-12H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-6-trimethoxysilylundec-2-enoic acid?
2-methyl-6-trimethoxysilylundec-2-enoic acid has a molecular weight of 318.49 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-trimethoxysilylundec-2-enoic acid is sourced from PubChem (CID 154490911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).