CID 58841248

C12H20O3 — CID 58841248

IUPAC—
SMILES[CH]COCC(CC)(COC[CH])COC[CH]
InChIInChI=1S/C12H20O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h2-4H,5-11H2,1H3
InChIKeyDFHVDGKUPRGCEE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.57
Rot. Bonds10

About CID 58841248

CID 58841248 (PubChem CID 58841248) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol.

Molecular Properties

Compound NameCID 58841248
PubChem CID58841248
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name—
SMILES[CH]COCC(CC)(COC[CH])COC[CH]
InChIInChI=1S/C12H20O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h2-4H,5-11H2,1H3
InChIKeyDFHVDGKUPRGCEE-UHFFFAOYSA-N
XLogP1.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58841248?
The IUPAC name of CID 58841248 (CID 58841248) is not available.
What is the SMILES notation for CID 58841248?
The canonical SMILES for CID 58841248 is [CH]COCC(CC)(COC[CH])COC[CH].
What is the InChIKey of CID 58841248?
The InChIKey is DFHVDGKUPRGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h2-4H,5-11H2,1H3.
What are the key properties of CID 58841248?
CID 58841248 has a molecular weight of 212.29 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58841248 is sourced from PubChem (CID 58841248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).