CID 59269174

C8H14O3 — CID 59269174

IUPAC—
SMILES[CH]CC1COC(COC)OC1
InChIInChI=1S/C8H14O3/c1-3-7-4-10-8(6-9-2)11-5-7/h1,7-8H,3-6H2,2H3
InChIKeyJIDPGUFSQKHYNR-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.72
Rot. Bonds3

About CID 59269174

CID 59269174 (PubChem CID 59269174) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol.

Molecular Properties

Compound NameCID 59269174
PubChem CID59269174
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name—
SMILES[CH]CC1COC(COC)OC1
InChIInChI=1S/C8H14O3/c1-3-7-4-10-8(6-9-2)11-5-7/h1,7-8H,3-6H2,2H3
InChIKeyJIDPGUFSQKHYNR-UHFFFAOYSA-N
XLogP0.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
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 59269174?
The IUPAC name of CID 59269174 (CID 59269174) is not available.
What is the SMILES notation for CID 59269174?
The canonical SMILES for CID 59269174 is [CH]CC1COC(COC)OC1.
What is the InChIKey of CID 59269174?
The InChIKey is JIDPGUFSQKHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-4-10-8(6-9-2)11-5-7/h1,7-8H,3-6H2,2H3.
What are the key properties of CID 59269174?
CID 59269174 has a molecular weight of 158.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269174 is sourced from PubChem (CID 59269174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).