CID 59269641

C12H14O4 — CID 59269641

IUPAC—
SMILES[CH]c1coc(COC2CCCCO2)cc1=O
InChIInChI=1S/C12H14O4/c1-9-7-15-10(6-11(9)13)8-16-12-4-2-3-5-14-12/h1,6-7,12H,2-5,8H2
InChIKeyKVEVYCYWJDXKIK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.74
Rot. Bonds3

About CID 59269641

CID 59269641 (PubChem CID 59269641) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol.

Molecular Properties

Compound NameCID 59269641
PubChem CID59269641
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name—
SMILES[CH]c1coc(COC2CCCCO2)cc1=O
InChIInChI=1S/C12H14O4/c1-9-7-15-10(6-11(9)13)8-16-12-4-2-3-5-14-12/h1,6-7,12H,2-5,8H2
InChIKeyKVEVYCYWJDXKIK-UHFFFAOYSA-N
XLogP1.74
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59269641?
The IUPAC name of CID 59269641 (CID 59269641) is not available.
What is the SMILES notation for CID 59269641?
The canonical SMILES for CID 59269641 is [CH]c1coc(COC2CCCCO2)cc1=O.
What is the InChIKey of CID 59269641?
The InChIKey is KVEVYCYWJDXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-9-7-15-10(6-11(9)13)8-16-12-4-2-3-5-14-12/h1,6-7,12H,2-5,8H2.
What are the key properties of CID 59269641?
CID 59269641 has a molecular weight of 222.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269641 is sourced from PubChem (CID 59269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).