2-trichlorosilylicosan-1-ol

C20H41Cl3OSi — CID 175038125

IUPAC2-trichlorosilylicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(CO)[Si](Cl)(Cl)Cl
InChIInChI=1S/C20H41Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-24)25(21,22)23/h20,24H,2-19H2,1H3
InChIKeyFMOHLSROEPCROJ-UHFFFAOYSA-N
MW431.99 g/mol
LogP8.66
Rot. Bonds19

About 2-trichlorosilylicosan-1-ol

2-trichlorosilylicosan-1-ol (PubChem CID 175038125) has the molecular formula C20H41Cl3OSi and a molecular weight of 431.99 g/mol. Its IUPAC name is 2-trichlorosilylicosan-1-ol.

Molecular Properties

Compound Name2-trichlorosilylicosan-1-ol
PubChem CID175038125
Molecular FormulaC20H41Cl3OSi
Molecular Weight431.99 g/mol
Exact Mass430.20
IUPAC Name2-trichlorosilylicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(CO)[Si](Cl)(Cl)Cl
InChIInChI=1S/C20H41Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-24)25(21,22)23/h20,24H,2-19H2,1H3
InChIKeyFMOHLSROEPCROJ-UHFFFAOYSA-N
XLogP8.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.99
LogP ≤ 58.66
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'}

Analyze 2-trichlorosilylicosan-1-ol 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-chlorooctadecan-1-ol
CID 14984660
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-pentadecylpropane-1,3-diol
CID 91351654
1-chlorohexadecan-1-ol
CID 87967130
trichloro(1-fluorododecyl)silane
CID 87425947
tricosane-1,2-diol
CID 42607324
(2R)-2-methyloctadecan-1-ol
CID 122453872

Frequently Asked Questions

What is the IUPAC name of 2-trichlorosilylicosan-1-ol?
The IUPAC name of 2-trichlorosilylicosan-1-ol (CID 175038125) is 2-trichlorosilylicosan-1-ol.
What is the SMILES notation for 2-trichlorosilylicosan-1-ol?
The canonical SMILES for 2-trichlorosilylicosan-1-ol is CCCCCCCCCCCCCCCCCCC(CO)[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-trichlorosilylicosan-1-ol?
The InChIKey is FMOHLSROEPCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-24)25(21,22)23/h20,24H,2-19H2,1H3.
What are the key properties of 2-trichlorosilylicosan-1-ol?
2-trichlorosilylicosan-1-ol has a molecular weight of 431.99 g/mol, XLogP of 8.66, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trichlorosilylicosan-1-ol is sourced from PubChem (CID 175038125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).