2-trichlorosilylundec-2-enoic acid

C11H19Cl3O2Si — CID 174052679

IUPAC2-trichlorosilylundec-2-enoic acid
SMILESCCCCCCCCC=C(C(=O)O)[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O2Si/c1-2-3-4-5-6-7-8-9-10(11(15)16)17(12,13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyQQDRLKUBHHSJTN-UHFFFAOYSA-N
MW317.72 g/mol
LogP4.94
Rot. Bonds9

About 2-trichlorosilylundec-2-enoic acid

2-trichlorosilylundec-2-enoic acid (PubChem CID 174052679) has the molecular formula C11H19Cl3O2Si and a molecular weight of 317.72 g/mol. Its IUPAC name is 2-trichlorosilylundec-2-enoic acid.

Molecular Properties

Compound Name2-trichlorosilylundec-2-enoic acid
PubChem CID174052679
Molecular FormulaC11H19Cl3O2Si
Molecular Weight317.72 g/mol
Exact Mass316.02
IUPAC Name2-trichlorosilylundec-2-enoic acid
SMILESCCCCCCCCC=C(C(=O)O)[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O2Si/c1-2-3-4-5-6-7-8-9-10(11(15)16)17(12,13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyQQDRLKUBHHSJTN-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 54.94
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'}

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Related Compounds

2-[dichloro(methyl)silyl]undec-2-enoic acid
CID 174052681
(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
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721

Frequently Asked Questions

What is the IUPAC name of 2-trichlorosilylundec-2-enoic acid?
The IUPAC name of 2-trichlorosilylundec-2-enoic acid (CID 174052679) is 2-trichlorosilylundec-2-enoic acid.
What is the SMILES notation for 2-trichlorosilylundec-2-enoic acid?
The canonical SMILES for 2-trichlorosilylundec-2-enoic acid is CCCCCCCCC=C(C(=O)O)[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-trichlorosilylundec-2-enoic acid?
The InChIKey is QQDRLKUBHHSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl3O2Si/c1-2-3-4-5-6-7-8-9-10(11(15)16)17(12,13)14/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-trichlorosilylundec-2-enoic acid?
2-trichlorosilylundec-2-enoic acid has a molecular weight of 317.72 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trichlorosilylundec-2-enoic acid is sourced from PubChem (CID 174052679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).