2-trichlorosilyldodecanoic acid

C12H23Cl3O2Si — CID 87682899

IUPAC2-trichlorosilyldodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)[Si](Cl)(Cl)Cl
InChIInChI=1S/C12H23Cl3O2Si/c1-2-3-4-5-6-7-8-9-10-11(12(16)17)18(13,14)15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyWQNAARMVRFMMEB-UHFFFAOYSA-N
MW333.76 g/mol
LogP5.63
Rot. Bonds11

About 2-trichlorosilyldodecanoic acid

2-trichlorosilyldodecanoic acid (PubChem CID 87682899) has the molecular formula C12H23Cl3O2Si and a molecular weight of 333.76 g/mol. Its IUPAC name is 2-trichlorosilyldodecanoic acid.

Molecular Properties

Compound Name2-trichlorosilyldodecanoic acid
PubChem CID87682899
Molecular FormulaC12H23Cl3O2Si
Molecular Weight333.76 g/mol
Exact Mass332.05
IUPAC Name2-trichlorosilyldodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)[Si](Cl)(Cl)Cl
InChIInChI=1S/C12H23Cl3O2Si/c1-2-3-4-5-6-7-8-9-10-11(12(16)17)18(13,14)15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyWQNAARMVRFMMEB-UHFFFAOYSA-N
XLogP5.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.76
LogP ≤ 55.63
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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CID 19851286
2-octylpropanedioic acid
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2,3,4-trimethyldecanoic acid
CID 150709082
2-(3-trichlorosilylpropyl)undecanoic acid
CID 87857601
8-[chloro(dimethyl)silyl]tetradecan-7-one
CID 158320796
2-hexylnonanoic acid
CID 18521424
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2,3-di(icosyl)butanedioic acid
CID 140519407

Frequently Asked Questions

What is the IUPAC name of 2-trichlorosilyldodecanoic acid?
The IUPAC name of 2-trichlorosilyldodecanoic acid (CID 87682899) is 2-trichlorosilyldodecanoic acid.
What is the SMILES notation for 2-trichlorosilyldodecanoic acid?
The canonical SMILES for 2-trichlorosilyldodecanoic acid is CCCCCCCCCCC(C(=O)O)[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-trichlorosilyldodecanoic acid?
The InChIKey is WQNAARMVRFMMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl3O2Si/c1-2-3-4-5-6-7-8-9-10-11(12(16)17)18(13,14)15/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-trichlorosilyldodecanoic acid?
2-trichlorosilyldodecanoic acid has a molecular weight of 333.76 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trichlorosilyldodecanoic acid is sourced from PubChem (CID 87682899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).