CID 59269731

C6H12O2 — CID 59269731

IUPAC—
SMILES[CH]C(COC)COC
InChIInChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h1,6H,4-5H2,2-3H3
InChIKeySMLAIJNXARKLLI-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.61
Rot. Bonds4

About CID 59269731

CID 59269731 (PubChem CID 59269731) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol.

Molecular Properties

Compound NameCID 59269731
PubChem CID59269731
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name—
SMILES[CH]C(COC)COC
InChIInChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h1,6H,4-5H2,2-3H3
InChIKeySMLAIJNXARKLLI-UHFFFAOYSA-N
XLogP0.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269731?
The IUPAC name of CID 59269731 (CID 59269731) is not available.
What is the SMILES notation for CID 59269731?
The canonical SMILES for CID 59269731 is [CH]C(COC)COC.
What is the InChIKey of CID 59269731?
The InChIKey is SMLAIJNXARKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h1,6H,4-5H2,2-3H3.
What are the key properties of CID 59269731?
CID 59269731 has a molecular weight of 116.16 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269731 is sourced from PubChem (CID 59269731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).