CID 70522560

C9H14MgO — CID 70522560

IUPAC—
SMILESCC1=CC(=O)CC(C)(C)C1.[Mg]
InChIInChI=1S/C9H14O.Mg/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;
InChIKeyXQVKHJGSWQBLNN-UHFFFAOYSA-N
MW162.51 g/mol
LogP1.94
Rot. Bonds

About CID 70522560

CID 70522560 (PubChem CID 70522560) has the molecular formula C9H14MgO and a molecular weight of 162.51 g/mol.

Molecular Properties

Compound NameCID 70522560
PubChem CID70522560
Molecular FormulaC9H14MgO
Molecular Weight162.51 g/mol
Exact Mass162.09
IUPAC Name—
SMILESCC1=CC(=O)CC(C)(C)C1.[Mg]
InChIInChI=1S/C9H14O.Mg/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;
InChIKeyXQVKHJGSWQBLNN-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70522560?
The IUPAC name of CID 70522560 (CID 70522560) is not available.
What is the SMILES notation for CID 70522560?
The canonical SMILES for CID 70522560 is CC1=CC(=O)CC(C)(C)C1.[Mg].
What is the InChIKey of CID 70522560?
The InChIKey is XQVKHJGSWQBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.Mg/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;.
What are the key properties of CID 70522560?
CID 70522560 has a molecular weight of 162.51 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70522560 is sourced from PubChem (CID 70522560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).