CID 59269208

C9H14O3 — CID 59269208

IUPAC—
SMILES[CH]C(C)C1COC2(COC2)OC1
InChIInChI=1S/C9H14O3/c1-7(2)8-3-11-9(12-4-8)5-10-6-9/h1,7-8H,3-6H2,2H3
InChIKeyWFXNUXCCYQOZNX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds1

About CID 59269208

CID 59269208 (PubChem CID 59269208) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol.

Molecular Properties

Compound NameCID 59269208
PubChem CID59269208
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name—
SMILES[CH]C(C)C1COC2(COC2)OC1
InChIInChI=1S/C9H14O3/c1-7(2)8-3-11-9(12-4-8)5-10-6-9/h1,7-8H,3-6H2,2H3
InChIKeyWFXNUXCCYQOZNX-UHFFFAOYSA-N
XLogP0.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59269208?
The IUPAC name of CID 59269208 (CID 59269208) is not available.
What is the SMILES notation for CID 59269208?
The canonical SMILES for CID 59269208 is [CH]C(C)C1COC2(COC2)OC1.
What is the InChIKey of CID 59269208?
The InChIKey is WFXNUXCCYQOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(2)8-3-11-9(12-4-8)5-10-6-9/h1,7-8H,3-6H2,2H3.
What are the key properties of CID 59269208?
CID 59269208 has a molecular weight of 170.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269208 is sourced from PubChem (CID 59269208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).