CID 59269616

C11H18O3 — CID 59269616

IUPAC—
SMILES[CH]CCC1COC2(CCOCC2)OC1
InChIInChI=1S/C11H18O3/c1-2-3-10-8-13-11(14-9-10)4-6-12-7-5-11/h1,10H,2-9H2
InChIKeyXORPOUUHGVGABM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.65
Rot. Bonds2

About CID 59269616

CID 59269616 (PubChem CID 59269616) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol.

Molecular Properties

Compound NameCID 59269616
PubChem CID59269616
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name—
SMILES[CH]CCC1COC2(CCOCC2)OC1
InChIInChI=1S/C11H18O3/c1-2-3-10-8-13-11(14-9-10)4-6-12-7-5-11/h1,10H,2-9H2
InChIKeyXORPOUUHGVGABM-UHFFFAOYSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59269616?
The IUPAC name of CID 59269616 (CID 59269616) is not available.
What is the SMILES notation for CID 59269616?
The canonical SMILES for CID 59269616 is [CH]CCC1COC2(CCOCC2)OC1.
What is the InChIKey of CID 59269616?
The InChIKey is XORPOUUHGVGABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-10-8-13-11(14-9-10)4-6-12-7-5-11/h1,10H,2-9H2.
What are the key properties of CID 59269616?
CID 59269616 has a molecular weight of 198.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269616 is sourced from PubChem (CID 59269616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).