[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate

C18H32O10Si — CID 141340334

IUPAC[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate
SMILESCCC(OC(CC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O)OC1(CC)OCCCO1
InChIInChI=1S/C18H32O10Si/c1-7-16(25-18(9-3)22-11-10-12-23-18)24-17(8-2)29(26-13(4)19,27-14(5)20)28-15(6)21/h16-17H,7-12H2,1-6H3
InChIKeyNKOUYHCSRRGMKT-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.20
Rot. Bonds11

About [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate

[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate (PubChem CID 141340334) has the molecular formula C18H32O10Si and a molecular weight of 436.53 g/mol. Its IUPAC name is [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate
PubChem CID141340334
Molecular FormulaC18H32O10Si
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate
SMILESCCC(OC(CC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O)OC1(CC)OCCCO1
InChIInChI=1S/C18H32O10Si/c1-7-16(25-18(9-3)22-11-10-12-23-18)24-17(8-2)29(26-13(4)19,27-14(5)20)28-15(6)21/h16-17H,7-12H2,1-6H3
InChIKeyNKOUYHCSRRGMKT-UHFFFAOYSA-N
XLogP2.20
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.20
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

1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
CID 140967214
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
CID 141340330
1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane
CID 141339674
2-methyl-1-(2-methyl-1,3-dioxan-2-yl)butan-1-one
CID 130457394
[1-(2-methoxypropoxy)propyl-dimethylsilyl] acetate
CID 87591425
cyclopropane;[dichloro(methyl)silyl] acetate
CID 67744148
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842
1-(1-pentan-3-ylcyclohexyl)ethanone
CID 67989831
2-ethyl-2-methoxy-1,3-dioxolane
CID 13229909
methoxymethyl 2-ethyloxane-2-carboxylate
CID 122528556
oxetane;pentan-2-one
CID 159710624
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate (CID 141340334) is [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate is CCC(OC(CC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O)OC1(CC)OCCCO1.
What is the InChIKey of [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate?
The InChIKey is NKOUYHCSRRGMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O10Si/c1-7-16(25-18(9-3)22-11-10-12-23-18)24-17(8-2)29(26-13(4)19,27-14(5)20)28-15(6)21/h16-17H,7-12H2,1-6H3.
What are the key properties of [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate?
[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate has a molecular weight of 436.53 g/mol, XLogP of 2.20, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate is sourced from PubChem (CID 141340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).