ditert-butyl dimethyl silicate;methyl tripropyl silicate

C20H48O8Si2 — CID 87785051

IUPACditert-butyl dimethyl silicate;methyl tripropyl silicate
SMILESCCCO[Si](OC)(OCCC)OCCC.CO[Si](OC)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/2C10H24O4Si/c1-9(2,3)13-15(11-7,12-8)14-10(4,5)6;1-5-8-12-15(11-4,13-9-6-2)14-10-7-3/h1-8H3;5-10H2,1-4H3
InChIKeyRLDCRZMKAAAGBL-UHFFFAOYSA-N
MW472.77 g/mol
LogP4.69
Rot. Bonds14

About ditert-butyl dimethyl silicate;methyl tripropyl silicate

ditert-butyl dimethyl silicate;methyl tripropyl silicate (PubChem CID 87785051) has the molecular formula C20H48O8Si2 and a molecular weight of 472.77 g/mol. Its IUPAC name is ditert-butyl dimethyl silicate;methyl tripropyl silicate.

Molecular Properties

Compound Nameditert-butyl dimethyl silicate;methyl tripropyl silicate
PubChem CID87785051
Molecular FormulaC20H48O8Si2
Molecular Weight472.77 g/mol
Exact Mass472.29
IUPAC Nameditert-butyl dimethyl silicate;methyl tripropyl silicate
SMILESCCCO[Si](OC)(OCCC)OCCC.CO[Si](OC)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/2C10H24O4Si/c1-9(2,3)13-15(11-7,12-8)14-10(4,5)6;1-5-8-12-15(11-4,13-9-6-2)14-10-7-3/h1-8H3;5-10H2,1-4H3
InChIKeyRLDCRZMKAAAGBL-UHFFFAOYSA-N
XLogP4.69
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimethyl dipropyl silicate;hydrate
CID 174450535
tributyl tert-butyl silicate
CID 627698
dimethyl pentyl propyl silicate
CID 524721
methyl tripentyl silicate
CID 524731
dimethyl propan-2-yl propyl silicate
CID 18339322
tert-butyl-dimethoxy-propoxysilane
CID 139714542
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
tritert-butyl(propoxy)silane
CID 87144875
dipentyl dipropyl silicate
CID 524722
tetrapropyl silicate;trimethyl(trimethylsilyloxy)silane
CID 87590627
ethyl dimethyl pentyl silicate
CID 88851017
2-ethoxyethyl trimethyl silicate
CID 141160179

Frequently Asked Questions

What is the IUPAC name of ditert-butyl dimethyl silicate;methyl tripropyl silicate?
The IUPAC name of ditert-butyl dimethyl silicate;methyl tripropyl silicate (CID 87785051) is ditert-butyl dimethyl silicate;methyl tripropyl silicate.
What is the SMILES notation for ditert-butyl dimethyl silicate;methyl tripropyl silicate?
The canonical SMILES for ditert-butyl dimethyl silicate;methyl tripropyl silicate is CCCO[Si](OC)(OCCC)OCCC.CO[Si](OC)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of ditert-butyl dimethyl silicate;methyl tripropyl silicate?
The InChIKey is RLDCRZMKAAAGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H24O4Si/c1-9(2,3)13-15(11-7,12-8)14-10(4,5)6;1-5-8-12-15(11-4,13-9-6-2)14-10-7-3/h1-8H3;5-10H2,1-4H3.
What are the key properties of ditert-butyl dimethyl silicate;methyl tripropyl silicate?
ditert-butyl dimethyl silicate;methyl tripropyl silicate has a molecular weight of 472.77 g/mol, XLogP of 4.69, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl dimethyl silicate;methyl tripropyl silicate is sourced from PubChem (CID 87785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).