CID 59269704

C8H12O3 — CID 59269704

IUPAC—
SMILES[CH]CC1COC2(COC2)OC1
InChIInChI=1S/C8H12O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h1,7H,2-6H2
InChIKeyQNWOGAOMQUGOAT-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds1

About CID 59269704

CID 59269704 (PubChem CID 59269704) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol.

Molecular Properties

Compound NameCID 59269704
PubChem CID59269704
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name—
SMILES[CH]CC1COC2(COC2)OC1
InChIInChI=1S/C8H12O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h1,7H,2-6H2
InChIKeyQNWOGAOMQUGOAT-UHFFFAOYSA-N
XLogP0.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59269704?
The IUPAC name of CID 59269704 (CID 59269704) is not available.
What is the SMILES notation for CID 59269704?
The canonical SMILES for CID 59269704 is [CH]CC1COC2(COC2)OC1.
What is the InChIKey of CID 59269704?
The InChIKey is QNWOGAOMQUGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h1,7H,2-6H2.
What are the key properties of CID 59269704?
CID 59269704 has a molecular weight of 156.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269704 is sourced from PubChem (CID 59269704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).