dimethyl propan-2-yl propyl silicate

C8H20O4Si — CID 18339322

IUPACdimethyl propan-2-yl propyl silicate
SMILESCCCO[Si](OC)(OC)OC(C)C
InChIInChI=1S/C8H20O4Si/c1-6-7-11-13(9-4,10-5)12-8(2)3/h8H,6-7H2,1-5H3
InChIKeyUPJAILCSAZDKLI-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.57
Rot. Bonds7

About dimethyl propan-2-yl propyl silicate

dimethyl propan-2-yl propyl silicate (PubChem CID 18339322) has the molecular formula C8H20O4Si and a molecular weight of 208.33 g/mol. Its IUPAC name is dimethyl propan-2-yl propyl silicate.

Molecular Properties

Compound Namedimethyl propan-2-yl propyl silicate
PubChem CID18339322
Molecular FormulaC8H20O4Si
Molecular Weight208.33 g/mol
Exact Mass208.11
IUPAC Namedimethyl propan-2-yl propyl silicate
SMILESCCCO[Si](OC)(OC)OC(C)C
InChIInChI=1S/C8H20O4Si/c1-6-7-11-13(9-4,10-5)12-8(2)3/h8H,6-7H2,1-5H3
InChIKeyUPJAILCSAZDKLI-UHFFFAOYSA-N
XLogP1.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl dipropyl silicate;hydrate
CID 174450535
dipentyl dipropan-2-yl silicate
CID 57239154
dimethyl pentyl propyl silicate
CID 524721
methyl-[2-[methyl-di(propan-2-yloxy)silyl]ethyl]-dipropoxysilane
CID 59537880
ditert-butyl dimethyl silicate;methyl tripropyl silicate
CID 87785051
ethenyl-methyl-propan-2-yloxy-propoxysilane
CID 175408042
methyl tripentyl silicate
CID 524731
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
tetrapropan-2-yl silicate;titanium
CID 87401928
tetrapropyl silicate;trimethyl(trimethylsilyloxy)silane
CID 87590627
dipentyl dipropyl silicate
CID 524722
ethyl dimethyl pentyl silicate
CID 88851017

Frequently Asked Questions

What is the IUPAC name of dimethyl propan-2-yl propyl silicate?
The IUPAC name of dimethyl propan-2-yl propyl silicate (CID 18339322) is dimethyl propan-2-yl propyl silicate.
What is the SMILES notation for dimethyl propan-2-yl propyl silicate?
The canonical SMILES for dimethyl propan-2-yl propyl silicate is CCCO[Si](OC)(OC)OC(C)C.
What is the InChIKey of dimethyl propan-2-yl propyl silicate?
The InChIKey is UPJAILCSAZDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4Si/c1-6-7-11-13(9-4,10-5)12-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of dimethyl propan-2-yl propyl silicate?
dimethyl propan-2-yl propyl silicate has a molecular weight of 208.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl propan-2-yl propyl silicate is sourced from PubChem (CID 18339322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).