dibutyl-(chloromethyl)-propan-2-yloxysilane

C12H27ClOSi — CID 23146703

IUPACdibutyl-(chloromethyl)-propan-2-yloxysilane
SMILESCCCC[Si](CCl)(CCCC)OC(C)C
InChIInChI=1S/C12H27ClOSi/c1-5-7-9-15(11-13,10-8-6-2)14-12(3)4/h12H,5-11H2,1-4H3
InChIKeyTYARTLAVNUWRNC-UHFFFAOYSA-N
MW250.89 g/mol
LogP4.74
Rot. Bonds9

About dibutyl-(chloromethyl)-propan-2-yloxysilane

dibutyl-(chloromethyl)-propan-2-yloxysilane (PubChem CID 23146703) has the molecular formula C12H27ClOSi and a molecular weight of 250.89 g/mol. Its IUPAC name is dibutyl-(chloromethyl)-propan-2-yloxysilane.

Molecular Properties

Compound Namedibutyl-(chloromethyl)-propan-2-yloxysilane
PubChem CID23146703
Molecular FormulaC12H27ClOSi
Molecular Weight250.89 g/mol
Exact Mass250.15
IUPAC Namedibutyl-(chloromethyl)-propan-2-yloxysilane
SMILESCCCC[Si](CCl)(CCCC)OC(C)C
InChIInChI=1S/C12H27ClOSi/c1-5-7-9-15(11-13,10-8-6-2)14-12(3)4/h12H,5-11H2,1-4H3
InChIKeyTYARTLAVNUWRNC-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triheptyl(propan-2-yloxy)silane
CID 178181529
dibutyl-methyl-propan-2-yloxysilane
CID 87144451
decyl-ethyl-di(propan-2-yloxy)silane
CID 158736144
tetrakis(tributylsilyl) silicate
CID 163284439
tributyl(germyloxy)silane
CID 159018718
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
butoxy(tributyl)silane
CID 594608
butyl-methoxy-dipropylsilane
CID 22228688
chloromethyl-di(propan-2-yl)-propan-2-yloxysilane
CID 23146550
chloromethyl-dimethyl-tridecan-2-yloxysilane
CID 554737
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
2-[butyl(dimethyl)silyl]oxypropanal
CID 87127239

Frequently Asked Questions

What is the IUPAC name of dibutyl-(chloromethyl)-propan-2-yloxysilane?
The IUPAC name of dibutyl-(chloromethyl)-propan-2-yloxysilane (CID 23146703) is dibutyl-(chloromethyl)-propan-2-yloxysilane.
What is the SMILES notation for dibutyl-(chloromethyl)-propan-2-yloxysilane?
The canonical SMILES for dibutyl-(chloromethyl)-propan-2-yloxysilane is CCCC[Si](CCl)(CCCC)OC(C)C.
What is the InChIKey of dibutyl-(chloromethyl)-propan-2-yloxysilane?
The InChIKey is TYARTLAVNUWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClOSi/c1-5-7-9-15(11-13,10-8-6-2)14-12(3)4/h12H,5-11H2,1-4H3.
What are the key properties of dibutyl-(chloromethyl)-propan-2-yloxysilane?
dibutyl-(chloromethyl)-propan-2-yloxysilane has a molecular weight of 250.89 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(chloromethyl)-propan-2-yloxysilane is sourced from PubChem (CID 23146703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).