CID 134866835

C12H14O4 — CID 134866835

IUPAC—
SMILESCOC(=O)C1=C(OC(C)=O)[C]C(C)=C(C)C1
InChIInChI=1S/C12H14O4/c1-7-5-10(12(14)15-4)11(6-8(7)2)16-9(3)13/h5H2,1-4H3
InChIKeyKMAIKLCBTVUYHY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.80
Rot. Bonds2

About CID 134866835

CID 134866835 (PubChem CID 134866835) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol.

Molecular Properties

Compound NameCID 134866835
PubChem CID134866835
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name—
SMILESCOC(=O)C1=C(OC(C)=O)[C]C(C)=C(C)C1
InChIInChI=1S/C12H14O4/c1-7-5-10(12(14)15-4)11(6-8(7)2)16-9(3)13/h5H2,1-4H3
InChIKeyKMAIKLCBTVUYHY-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134866835?
The IUPAC name of CID 134866835 (CID 134866835) is not available.
What is the SMILES notation for CID 134866835?
The canonical SMILES for CID 134866835 is COC(=O)C1=C(OC(C)=O)[C]C(C)=C(C)C1.
What is the InChIKey of CID 134866835?
The InChIKey is KMAIKLCBTVUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-5-10(12(14)15-4)11(6-8(7)2)16-9(3)13/h5H2,1-4H3.
What are the key properties of CID 134866835?
CID 134866835 has a molecular weight of 222.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134866835 is sourced from PubChem (CID 134866835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).