CID 58680248

C9H18O2 — CID 58680248

IUPAC—
SMILES[CH]CC(CC)(COC)COC
InChIInChI=1S/C9H18O2/c1-5-9(6-2,7-10-3)8-11-4/h1H,5-8H2,2-4H3
InChIKeyXGQXVNBQAURYGY-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.78
Rot. Bonds6

About CID 58680248

CID 58680248 (PubChem CID 58680248) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol.

Molecular Properties

Compound NameCID 58680248
PubChem CID58680248
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name—
SMILES[CH]CC(CC)(COC)COC
InChIInChI=1S/C9H18O2/c1-5-9(6-2,7-10-3)8-11-4/h1H,5-8H2,2-4H3
InChIKeyXGQXVNBQAURYGY-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58680248?
The IUPAC name of CID 58680248 (CID 58680248) is not available.
What is the SMILES notation for CID 58680248?
The canonical SMILES for CID 58680248 is [CH]CC(CC)(COC)COC.
What is the InChIKey of CID 58680248?
The InChIKey is XGQXVNBQAURYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-9(6-2,7-10-3)8-11-4/h1H,5-8H2,2-4H3.
What are the key properties of CID 58680248?
CID 58680248 has a molecular weight of 158.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58680248 is sourced from PubChem (CID 58680248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).