CID 172712223

C9H20MgO — CID 172712223

IUPAC—
SMILESCC(C)CCC[C@@H](C)CO.[Mg]
InChIInChI=1S/C9H20O.Mg/c1-8(2)5-4-6-9(3)7-10;/h8-10H,4-7H2,1-3H3;/t9-;/m1./s1
InChIKeyFKAJJXRHSPTOJS-SBSPUUFOSA-N
MW168.56 g/mol
LogP2.06
Rot. Bonds5

About CID 172712223

CID 172712223 (PubChem CID 172712223) has the molecular formula C9H20MgO and a molecular weight of 168.56 g/mol.

Molecular Properties

Compound NameCID 172712223
PubChem CID172712223
Molecular FormulaC9H20MgO
Molecular Weight168.56 g/mol
Exact Mass168.14
IUPAC Name—
SMILESCC(C)CCC[C@@H](C)CO.[Mg]
InChIInChI=1S/C9H20O.Mg/c1-8(2)5-4-6-9(3)7-10;/h8-10H,4-7H2,1-3H3;/t9-;/m1./s1
InChIKeyFKAJJXRHSPTOJS-SBSPUUFOSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172712223?
The IUPAC name of CID 172712223 (CID 172712223) is not available.
What is the SMILES notation for CID 172712223?
The canonical SMILES for CID 172712223 is CC(C)CCC[C@@H](C)CO.[Mg].
What is the InChIKey of CID 172712223?
The InChIKey is FKAJJXRHSPTOJS-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H20O.Mg/c1-8(2)5-4-6-9(3)7-10;/h8-10H,4-7H2,1-3H3;/t9-;/m1./s1.
What are the key properties of CID 172712223?
CID 172712223 has a molecular weight of 168.56 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172712223 is sourced from PubChem (CID 172712223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).