CID 59369539

C7H12O2 — CID 59369539

IUPAC—
SMILES[CH]C1(CO)CCOCC1
InChIInChI=1S/C7H12O2/c1-7(6-8)2-4-9-5-3-7/h1,8H,2-6H2
InChIKeyRDQAKXMANHYFIQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.49
Rot. Bonds1

About CID 59369539

CID 59369539 (PubChem CID 59369539) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol.

Molecular Properties

Compound NameCID 59369539
PubChem CID59369539
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[CH]C1(CO)CCOCC1
InChIInChI=1S/C7H12O2/c1-7(6-8)2-4-9-5-3-7/h1,8H,2-6H2
InChIKeyRDQAKXMANHYFIQ-UHFFFAOYSA-N
XLogP0.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59369539?
The IUPAC name of CID 59369539 (CID 59369539) is not available.
What is the SMILES notation for CID 59369539?
The canonical SMILES for CID 59369539 is [CH]C1(CO)CCOCC1.
What is the InChIKey of CID 59369539?
The InChIKey is RDQAKXMANHYFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(6-8)2-4-9-5-3-7/h1,8H,2-6H2.
What are the key properties of CID 59369539?
CID 59369539 has a molecular weight of 128.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369539 is sourced from PubChem (CID 59369539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).