chloro(2-methylicosan-2-yl)silane

C21H45ClSi — CID 173060417

IUPACchloro(2-methylicosan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC(C)(C)[SiH2]Cl
InChIInChI=1S/C21H45ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)23-22/h4-20,23H2,1-3H3
InChIKeyFOKDMGCMUUFBRX-UHFFFAOYSA-N
MW361.13 g/mol
LogP8.16
Rot. Bonds18

About chloro(2-methylicosan-2-yl)silane

chloro(2-methylicosan-2-yl)silane (PubChem CID 173060417) has the molecular formula C21H45ClSi and a molecular weight of 361.13 g/mol. Its IUPAC name is chloro(2-methylicosan-2-yl)silane.

Molecular Properties

Compound Namechloro(2-methylicosan-2-yl)silane
PubChem CID173060417
Molecular FormulaC21H45ClSi
Molecular Weight361.13 g/mol
Exact Mass360.30
IUPAC Namechloro(2-methylicosan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC(C)(C)[SiH2]Cl
InChIInChI=1S/C21H45ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)23-22/h4-20,23H2,1-3H3
InChIKeyFOKDMGCMUUFBRX-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.13
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

chloromethyl(2-methylheptan-2-yl)silane
CID 173026272
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
11-chloro-11-nonylhenicosane
CID 154304707
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
2-chloro-2-methylheptadecane
CID 19869804
azane;12-chloro-12-undecyltetracosane
CID 88840214
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
azane;2-chloro-2-methyltridecane
CID 87093642
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165

Frequently Asked Questions

What is the IUPAC name of chloro(2-methylicosan-2-yl)silane?
The IUPAC name of chloro(2-methylicosan-2-yl)silane (CID 173060417) is chloro(2-methylicosan-2-yl)silane.
What is the SMILES notation for chloro(2-methylicosan-2-yl)silane?
The canonical SMILES for chloro(2-methylicosan-2-yl)silane is CCCCCCCCCCCCCCCCCCC(C)(C)[SiH2]Cl.
What is the InChIKey of chloro(2-methylicosan-2-yl)silane?
The InChIKey is FOKDMGCMUUFBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)23-22/h4-20,23H2,1-3H3.
What are the key properties of chloro(2-methylicosan-2-yl)silane?
chloro(2-methylicosan-2-yl)silane has a molecular weight of 361.13 g/mol, XLogP of 8.16, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(2-methylicosan-2-yl)silane is sourced from PubChem (CID 173060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).