[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane

C17H38O2Si — CID 86248067

IUPAC[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](C)(C)CCC
InChIInChI=1S/C17H38O2Si/c1-7-10-12-17(15-18-4,13-11-8-2)16-19-20(5,6)14-9-3/h7-16H2,1-6H3
InChIKeySSWKNIZQOPYCCE-UHFFFAOYSA-N
MW302.57 g/mol
LogP5.63
Rot. Bonds13

About [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane

[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane (PubChem CID 86248067) has the molecular formula C17H38O2Si and a molecular weight of 302.57 g/mol. Its IUPAC name is [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane.

Molecular Properties

Compound Name[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane
PubChem CID86248067
Molecular FormulaC17H38O2Si
Molecular Weight302.57 g/mol
Exact Mass302.26
IUPAC Name[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](C)(C)CCC
InChIInChI=1S/C17H38O2Si/c1-7-10-12-17(15-18-4,13-11-8-2)16-19-20(5,6)14-9-3/h7-16H2,1-6H3
InChIKeySSWKNIZQOPYCCE-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.57
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
ethyl-[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
CID 87775581
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
N,N,2-triethyl-2-(methoxymethyl)decan-1-amine
CID 139968832
(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane
CID 86080050
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
3-(methoxymethyl)-3-methylheptane
CID 91024730
4,4-bis(ethoxymethyl)heptane;5,5-bis(ethoxymethyl)nonane
CID 159037908
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871
2,2-dioctyldecoxy-diethoxy-octylsilane
CID 154020253
butoxy-dimethyl-propylsilane;isocyanic acid
CID 172732082
butoxy-dimethyl-propylsilane;butyl-hydroxy-dimethylsilane
CID 174694478

Frequently Asked Questions

What is the IUPAC name of [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane?
The IUPAC name of [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane (CID 86248067) is [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane.
What is the SMILES notation for [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane?
The canonical SMILES for [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane is CCCCC(CCCC)(COC)CO[Si](C)(C)CCC.
What is the InChIKey of [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane?
The InChIKey is SSWKNIZQOPYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-7-10-12-17(15-18-4,13-11-8-2)16-19-20(5,6)14-9-3/h7-16H2,1-6H3.
What are the key properties of [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane?
[2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane has a molecular weight of 302.57 g/mol, XLogP of 5.63, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-2-(methoxymethyl)hexoxy]-dimethyl-propylsilane is sourced from PubChem (CID 86248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).