2-[dichloro(methyl)silyl]undec-2-enoic acid

C12H22Cl2O2Si — CID 174052681

IUPAC2-[dichloro(methyl)silyl]undec-2-enoic acid
SMILESCCCCCCCCC=C(C(=O)O)[Si](C)(Cl)Cl
InChIInChI=1S/C12H22Cl2O2Si/c1-3-4-5-6-7-8-9-10-11(12(15)16)17(2,13)14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyMWWZVTFDNUJNDZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.84
Rot. Bonds9

About 2-[dichloro(methyl)silyl]undec-2-enoic acid

2-[dichloro(methyl)silyl]undec-2-enoic acid (PubChem CID 174052681) has the molecular formula C12H22Cl2O2Si and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[dichloro(methyl)silyl]undec-2-enoic acid.

Molecular Properties

Compound Name2-[dichloro(methyl)silyl]undec-2-enoic acid
PubChem CID174052681
Molecular FormulaC12H22Cl2O2Si
Molecular Weight297.30 g/mol
Exact Mass296.08
IUPAC Name2-[dichloro(methyl)silyl]undec-2-enoic acid
SMILESCCCCCCCCC=C(C(=O)O)[Si](C)(Cl)Cl
InChIInChI=1S/C12H22Cl2O2Si/c1-3-4-5-6-7-8-9-10-11(12(15)16)17(2,13)14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyMWWZVTFDNUJNDZ-UHFFFAOYSA-N
XLogP4.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 2-[dichloro(methyl)silyl]undec-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-trichlorosilylundec-2-enoic acid
CID 174052679
(Z)-2-trimethylsilylnon-2-enoic acid
CID 10988027
2-nonadecylidenepropanedioic acid
CID 19832661
(Z)-2-chlorooct-2-enoic acid
CID 101279333
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(methyl)silyl]undec-2-enoic acid?
The IUPAC name of 2-[dichloro(methyl)silyl]undec-2-enoic acid (CID 174052681) is 2-[dichloro(methyl)silyl]undec-2-enoic acid.
What is the SMILES notation for 2-[dichloro(methyl)silyl]undec-2-enoic acid?
The canonical SMILES for 2-[dichloro(methyl)silyl]undec-2-enoic acid is CCCCCCCCC=C(C(=O)O)[Si](C)(Cl)Cl.
What is the InChIKey of 2-[dichloro(methyl)silyl]undec-2-enoic acid?
The InChIKey is MWWZVTFDNUJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2O2Si/c1-3-4-5-6-7-8-9-10-11(12(15)16)17(2,13)14/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[dichloro(methyl)silyl]undec-2-enoic acid?
2-[dichloro(methyl)silyl]undec-2-enoic acid has a molecular weight of 297.30 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(methyl)silyl]undec-2-enoic acid is sourced from PubChem (CID 174052681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).