2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene

C16H24O6 — CID 20503523

IUPAC2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
SMILESCCOC(=O)OCCOC(=O)OCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H14O6.C8H10/c1-3-11-7(9)13-5-6-14-8(10)12-4-2;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H,1-2H3
InChIKeyQYUSVFDAGMKSJM-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.64
Rot. Bonds5

About 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene

2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene (PubChem CID 20503523) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene.

Molecular Properties

Compound Name2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
PubChem CID20503523
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
SMILESCCOC(=O)OCCOC(=O)OCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H14O6.C8H10/c1-3-11-7(9)13-5-6-14-8(10)12-4-2;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H,1-2H3
InChIKeyQYUSVFDAGMKSJM-UHFFFAOYSA-N
XLogP3.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene?
The IUPAC name of 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene (CID 20503523) is 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene.
What is the SMILES notation for 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene?
The canonical SMILES for 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene is CCOC(=O)OCCOC(=O)OCC.Cc1ccc(C)cc1.
What is the InChIKey of 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene?
The InChIKey is QYUSVFDAGMKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6.C8H10/c1-3-11-7(9)13-5-6-14-8(10)12-4-2;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene?
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene has a molecular weight of 312.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene is sourced from PubChem (CID 20503523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).