CID 59303812

C7H10O3 — CID 59303812

IUPAC—
SMILES[CH]C(=O)OC1CCOCC1
InChIInChI=1S/C7H10O3/c1-6(8)10-7-2-4-9-5-3-7/h1,7H,2-5H2
InChIKeyWJGKXXRDQKJKPB-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.42
Rot. Bonds1

About CID 59303812

CID 59303812 (PubChem CID 59303812) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol.

Molecular Properties

Compound NameCID 59303812
PubChem CID59303812
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name—
SMILES[CH]C(=O)OC1CCOCC1
InChIInChI=1S/C7H10O3/c1-6(8)10-7-2-4-9-5-3-7/h1,7H,2-5H2
InChIKeyWJGKXXRDQKJKPB-UHFFFAOYSA-N
XLogP0.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303812?
The IUPAC name of CID 59303812 (CID 59303812) is not available.
What is the SMILES notation for CID 59303812?
The canonical SMILES for CID 59303812 is [CH]C(=O)OC1CCOCC1.
What is the InChIKey of CID 59303812?
The InChIKey is WJGKXXRDQKJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-6(8)10-7-2-4-9-5-3-7/h1,7H,2-5H2.
What are the key properties of CID 59303812?
CID 59303812 has a molecular weight of 142.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303812 is sourced from PubChem (CID 59303812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).