(2-acetyloxy-3-trimethylsilyloxypropyl) acetate

C10H20O5Si — CID 91709764

IUPAC(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O5Si/c1-8(11)13-6-10(15-9(2)12)7-14-16(3,4)5/h10H,6-7H2,1-5H3
InChIKeyCOAMMQOVMQJCMQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.33
Rot. Bonds6

About (2-acetyloxy-3-trimethylsilyloxypropyl) acetate

(2-acetyloxy-3-trimethylsilyloxypropyl) acetate (PubChem CID 91709764) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is (2-acetyloxy-3-trimethylsilyloxypropyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
PubChem CID91709764
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O5Si/c1-8(11)13-6-10(15-9(2)12)7-14-16(3,4)5/h10H,6-7H2,1-5H3
InChIKeyCOAMMQOVMQJCMQ-UHFFFAOYSA-N
XLogP1.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
(2-acetyloxy-5-bromopentyl) acetate
CID 72961243
[2-acetyloxy-3-(1,1-diiodoethoxy)propyl] acetate
CID 118586406
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
2,3-diacetyloxypropyl acetate;ethyl butanoate
CID 146464285
[(2R)-2,3-diacetyloxypropyl] hydrogen phosphate
CID 59891983
2,3-diacetyloxypropyl hydrogen phosphate
CID 22956793

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-trimethylsilyloxypropyl) acetate?
The IUPAC name of (2-acetyloxy-3-trimethylsilyloxypropyl) acetate (CID 91709764) is (2-acetyloxy-3-trimethylsilyloxypropyl) acetate.
What is the SMILES notation for (2-acetyloxy-3-trimethylsilyloxypropyl) acetate?
The canonical SMILES for (2-acetyloxy-3-trimethylsilyloxypropyl) acetate is CC(=O)OCC(CO[Si](C)(C)C)OC(C)=O.
What is the InChIKey of (2-acetyloxy-3-trimethylsilyloxypropyl) acetate?
The InChIKey is COAMMQOVMQJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-8(11)13-6-10(15-9(2)12)7-14-16(3,4)5/h10H,6-7H2,1-5H3.
What are the key properties of (2-acetyloxy-3-trimethylsilyloxypropyl) acetate?
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate has a molecular weight of 248.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-trimethylsilyloxypropyl) acetate is sourced from PubChem (CID 91709764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).