2-methylicosan-2-yloxysilane

C21H46OSi — CID 173002328

IUPAC2-methylicosan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCC(C)(C)O[SiH3]
InChIInChI=1S/C21H46OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22-23/h4-20H2,1-3,23H3
InChIKeyMBQHTWQNWAKMCW-UHFFFAOYSA-N
MW342.68 g/mol
LogP6.71
Rot. Bonds18

About 2-methylicosan-2-yloxysilane

2-methylicosan-2-yloxysilane (PubChem CID 173002328) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is 2-methylicosan-2-yloxysilane.

Molecular Properties

Compound Name2-methylicosan-2-yloxysilane
PubChem CID173002328
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Name2-methylicosan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCC(C)(C)O[SiH3]
InChIInChI=1S/C21H46OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22-23/h4-20H2,1-3,23H3
InChIKeyMBQHTWQNWAKMCW-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-methylundecane
CID 150956805
2-dodecoxy-2-methyltetradecane
CID 158074564
2-hydroperoxy-2-methylnonane
CID 15188455
2-hydroperoxy-2-methyltridecane
CID 140639786
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
2,2,3-trimethyldecan-3-yloxysilane
CID 173402101
7-methylhexadecan-7-ylsilane
CID 173411878
2-tert-butylperoxy-2-methylheptane
CID 21475586
2-methoxyperoxy-2-methyldecane
CID 90108223
2-methylnonan-2-yl dihydrogen phosphite
CID 23352949
2-methoxyperoxy-2-methylnonane
CID 90108222

Frequently Asked Questions

What is the IUPAC name of 2-methylicosan-2-yloxysilane?
The IUPAC name of 2-methylicosan-2-yloxysilane (CID 173002328) is 2-methylicosan-2-yloxysilane.
What is the SMILES notation for 2-methylicosan-2-yloxysilane?
The canonical SMILES for 2-methylicosan-2-yloxysilane is CCCCCCCCCCCCCCCCCCC(C)(C)O[SiH3].
What is the InChIKey of 2-methylicosan-2-yloxysilane?
The InChIKey is MBQHTWQNWAKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22-23/h4-20H2,1-3,23H3.
What are the key properties of 2-methylicosan-2-yloxysilane?
2-methylicosan-2-yloxysilane has a molecular weight of 342.68 g/mol, XLogP of 6.71, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylicosan-2-yloxysilane is sourced from PubChem (CID 173002328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).