[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate

C19H36O10Si — CID 175468444

IUPAC[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate
SMILESCCCOC(C)C(OCCC)(OCCC)[Si](OC(C)=O)(OC(C)=O)OC(=O)COC
InChIInChI=1S/C19H36O10Si/c1-8-11-24-15(4)19(25-12-9-2,26-13-10-3)30(27-16(5)20,28-17(6)21)29-18(22)14-23-7/h15H,8-14H2,1-7H3
InChIKeyLWDPTVJCMBBYKB-UHFFFAOYSA-N
MW452.57 g/mol
LogP2.14
Rot. Bonds16

About [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate

[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate (PubChem CID 175468444) has the molecular formula C19H36O10Si and a molecular weight of 452.57 g/mol. Its IUPAC name is [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate.

Molecular Properties

Compound Name[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate
PubChem CID175468444
Molecular FormulaC19H36O10Si
Molecular Weight452.57 g/mol
Exact Mass452.21
IUPAC Name[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate
SMILESCCCOC(C)C(OCCC)(OCCC)[Si](OC(C)=O)(OC(C)=O)OC(=O)COC
InChIInChI=1S/C19H36O10Si/c1-8-11-24-15(4)19(25-12-9-2,26-13-10-3)30(27-16(5)20,28-17(6)21)29-18(22)14-23-7/h15H,8-14H2,1-7H3
InChIKeyLWDPTVJCMBBYKB-UHFFFAOYSA-N
XLogP2.14
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethoxy-(methoxymethoxy)-(1,1,2-tributoxypropyl)silane
CID 175185459
acetic acid;1-methoxy-2-propoxypropane
CID 159297729
[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
3-ethyl-2,3-dipropoxypentane;propane-1,2-diol
CID 158196874
2-(hydroxymethyl)-2-(1-propoxyethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 162023815
[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
CID 161302432
[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate
CID 87829079
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
[diacetyloxy(propoxymethyl)silyl] acetate
CID 141216084
propyl 3-propoxybutanoate
CID 175273522
1,1-dipropoxypropyl acetate
CID 141080960

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate?
The IUPAC name of [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate (CID 175468444) is [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate.
What is the SMILES notation for [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate?
The canonical SMILES for [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate is CCCOC(C)C(OCCC)(OCCC)[Si](OC(C)=O)(OC(C)=O)OC(=O)COC.
What is the InChIKey of [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate?
The InChIKey is LWDPTVJCMBBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O10Si/c1-8-11-24-15(4)19(25-12-9-2,26-13-10-3)30(27-16(5)20,28-17(6)21)29-18(22)14-23-7/h15H,8-14H2,1-7H3.
What are the key properties of [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate?
[diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate has a molecular weight of 452.57 g/mol, XLogP of 2.14, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(1,1,2-tripropoxypropyl)silyl] 2-methoxyacetate is sourced from PubChem (CID 175468444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).