2-(3-trichlorosilylpropyl)undecanoic acid

C14H27Cl3O2Si — CID 87857601

IUPAC2-(3-trichlorosilylpropyl)undecanoic acid
SMILESCCCCCCCCCC(CCC[Si](Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C14H27Cl3O2Si/c1-2-3-4-5-6-7-8-10-13(14(18)19)11-9-12-20(15,16)17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGRZXGBZOJAQXAO-UHFFFAOYSA-N
MW361.81 g/mol
LogP6.26
Rot. Bonds13

About 2-(3-trichlorosilylpropyl)undecanoic acid

2-(3-trichlorosilylpropyl)undecanoic acid (PubChem CID 87857601) has the molecular formula C14H27Cl3O2Si and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-(3-trichlorosilylpropyl)undecanoic acid.

Molecular Properties

Compound Name2-(3-trichlorosilylpropyl)undecanoic acid
PubChem CID87857601
Molecular FormulaC14H27Cl3O2Si
Molecular Weight361.81 g/mol
Exact Mass360.08
IUPAC Name2-(3-trichlorosilylpropyl)undecanoic acid
SMILESCCCCCCCCCC(CCC[Si](Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C14H27Cl3O2Si/c1-2-3-4-5-6-7-8-10-13(14(18)19)11-9-12-20(15,16)17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGRZXGBZOJAQXAO-UHFFFAOYSA-N
XLogP6.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.81
LogP ≤ 56.26
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

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-nonyl-4-tridecylpentanedioic acid
CID 87929882

Frequently Asked Questions

What is the IUPAC name of 2-(3-trichlorosilylpropyl)undecanoic acid?
The IUPAC name of 2-(3-trichlorosilylpropyl)undecanoic acid (CID 87857601) is 2-(3-trichlorosilylpropyl)undecanoic acid.
What is the SMILES notation for 2-(3-trichlorosilylpropyl)undecanoic acid?
The canonical SMILES for 2-(3-trichlorosilylpropyl)undecanoic acid is CCCCCCCCCC(CCC[Si](Cl)(Cl)Cl)C(=O)O.
What is the InChIKey of 2-(3-trichlorosilylpropyl)undecanoic acid?
The InChIKey is GRZXGBZOJAQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl3O2Si/c1-2-3-4-5-6-7-8-10-13(14(18)19)11-9-12-20(15,16)17/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 2-(3-trichlorosilylpropyl)undecanoic acid?
2-(3-trichlorosilylpropyl)undecanoic acid has a molecular weight of 361.81 g/mol, XLogP of 6.26, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trichlorosilylpropyl)undecanoic acid is sourced from PubChem (CID 87857601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).