acetic acid;azane;1,3-xylene

C12H24N2O4 — CID 21426934

IUPACacetic acid;azane;1,3-xylene
SMILESCC(=O)O.CC(=O)O.Cc1cccc(C)c1.N.N
InChIInChI=1S/C8H10.2C2H4O2.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2(3)4;;/h3-6H,1-2H3;2*1H3,(H,3,4);2*1H3
InChIKeyXVXIIWOFIBPTOJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.81
Rot. Bonds

About acetic acid;azane;1,3-xylene

acetic acid;azane;1,3-xylene (PubChem CID 21426934) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is acetic acid;azane;1,3-xylene.

Molecular Properties

Compound Nameacetic acid;azane;1,3-xylene
PubChem CID21426934
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameacetic acid;azane;1,3-xylene
SMILESCC(=O)O.CC(=O)O.Cc1cccc(C)c1.N.N
InChIInChI=1S/C8H10.2C2H4O2.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2(3)4;;/h3-6H,1-2H3;2*1H3,(H,3,4);2*1H3
InChIKeyXVXIIWOFIBPTOJ-UHFFFAOYSA-N
XLogP2.81
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142096795
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Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;1,3-xylene?
The IUPAC name of acetic acid;azane;1,3-xylene (CID 21426934) is acetic acid;azane;1,3-xylene.
What is the SMILES notation for acetic acid;azane;1,3-xylene?
The canonical SMILES for acetic acid;azane;1,3-xylene is CC(=O)O.CC(=O)O.Cc1cccc(C)c1.N.N.
What is the InChIKey of acetic acid;azane;1,3-xylene?
The InChIKey is XVXIIWOFIBPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C2H4O2.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2(3)4;;/h3-6H,1-2H3;2*1H3,(H,3,4);2*1H3.
What are the key properties of acetic acid;azane;1,3-xylene?
acetic acid;azane;1,3-xylene has a molecular weight of 260.33 g/mol, XLogP of 2.81, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;1,3-xylene is sourced from PubChem (CID 21426934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).