butoxy-dimethyl-(3-methylpentoxy)silane

C12H28O2Si — CID 91698389

IUPACbutoxy-dimethyl-(3-methylpentoxy)silane
SMILESCCCCO[Si](C)(C)OCCC(C)CC
InChIInChI=1S/C12H28O2Si/c1-6-8-10-13-15(4,5)14-11-9-12(3)7-2/h12H,6-11H2,1-5H3
InChIKeyQRRVOFOKJJZUNN-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.96
Rot. Bonds9

About butoxy-dimethyl-(3-methylpentoxy)silane

butoxy-dimethyl-(3-methylpentoxy)silane (PubChem CID 91698389) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is butoxy-dimethyl-(3-methylpentoxy)silane.

Molecular Properties

Compound Namebutoxy-dimethyl-(3-methylpentoxy)silane
PubChem CID91698389
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namebutoxy-dimethyl-(3-methylpentoxy)silane
SMILESCCCCO[Si](C)(C)OCCC(C)CC
InChIInChI=1S/C12H28O2Si/c1-6-8-10-13-15(4,5)14-11-9-12(3)7-2/h12H,6-11H2,1-5H3
InChIKeyQRRVOFOKJJZUNN-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, (isopentyloxy)trimethyl-
CID 519534
Dipentyloxydimethylsilane
CID 525750
Silane, (isohexyloxy)trimethyl-
CID 558059
(2-Ethylbutoxy)(trimethyl)silane
CID 554481
Silane, dimethyldi(2-ethylbutoxy)-
CID 85694059
Silane, trimethyl(2-methylbutoxy)-
CID 554470
Dimethyl[bis(3-methylbutoxy)]silane
CID 14619508
2-Methyl-1-pentanol, tert-butyldimethylsilyl ether
CID 86203641
tert-butyl-dimethyl-[(3S)-3-methylpentoxy]silane
CID 88988001
Trimethyl-[2-(trimethylsilyloxymethyl)pentoxy]silane
CID 134895252
Trimethyl[(3-methylpentyl)oxy]silane
CID 554453
Trimethyl[(2-methylpentyl)oxy]silane
CID 554456

Frequently Asked Questions

What is the IUPAC name of butoxy-dimethyl-(3-methylpentoxy)silane?
The IUPAC name of butoxy-dimethyl-(3-methylpentoxy)silane (CID 91698389) is butoxy-dimethyl-(3-methylpentoxy)silane.
What is the SMILES notation for butoxy-dimethyl-(3-methylpentoxy)silane?
The canonical SMILES for butoxy-dimethyl-(3-methylpentoxy)silane is CCCCO[Si](C)(C)OCCC(C)CC.
What is the InChIKey of butoxy-dimethyl-(3-methylpentoxy)silane?
The InChIKey is QRRVOFOKJJZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-8-10-13-15(4,5)14-11-9-12(3)7-2/h12H,6-11H2,1-5H3.
What are the key properties of butoxy-dimethyl-(3-methylpentoxy)silane?
butoxy-dimethyl-(3-methylpentoxy)silane has a molecular weight of 232.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethyl-(3-methylpentoxy)silane is sourced from PubChem (CID 91698389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).