(3-methoxy-2-methylnonadecan-2-yl)silane

C21H46OSi — CID 173128968

IUPAC(3-methoxy-2-methylnonadecan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCC(OC)C(C)(C)[SiH3]
InChIInChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22-4)21(2,3)23/h20H,5-19H2,1-4,23H3
InChIKeyIBZRQODQFXOEEP-UHFFFAOYSA-N
MW342.68 g/mol
LogP6.44
Rot. Bonds17

About (3-methoxy-2-methylnonadecan-2-yl)silane

(3-methoxy-2-methylnonadecan-2-yl)silane (PubChem CID 173128968) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is (3-methoxy-2-methylnonadecan-2-yl)silane.

Molecular Properties

Compound Name(3-methoxy-2-methylnonadecan-2-yl)silane
PubChem CID173128968
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Name(3-methoxy-2-methylnonadecan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCC(OC)C(C)(C)[SiH3]
InChIInChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22-4)21(2,3)23/h20H,5-19H2,1-4,23H3
InChIKeyIBZRQODQFXOEEP-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 56.44
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

(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
CID 18425047
CID 18425047
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
1,1-dimethoxytetradecane
CID 13265409
(5S)-5-methoxyundecane
CID 118889956
trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride
CID 160555318
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
N,N,2-trimethyl-2-silylnonadecan-3-amine
CID 173003258
3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
CID 141041946

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylnonadecan-2-yl)silane?
The IUPAC name of (3-methoxy-2-methylnonadecan-2-yl)silane (CID 173128968) is (3-methoxy-2-methylnonadecan-2-yl)silane.
What is the SMILES notation for (3-methoxy-2-methylnonadecan-2-yl)silane?
The canonical SMILES for (3-methoxy-2-methylnonadecan-2-yl)silane is CCCCCCCCCCCCCCCCC(OC)C(C)(C)[SiH3].
What is the InChIKey of (3-methoxy-2-methylnonadecan-2-yl)silane?
The InChIKey is IBZRQODQFXOEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22-4)21(2,3)23/h20H,5-19H2,1-4,23H3.
What are the key properties of (3-methoxy-2-methylnonadecan-2-yl)silane?
(3-methoxy-2-methylnonadecan-2-yl)silane has a molecular weight of 342.68 g/mol, XLogP of 6.44, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylnonadecan-2-yl)silane is sourced from PubChem (CID 173128968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).