CID 171703364

C14H24O4Pb-4 — CID 171703364

IUPAC—
SMILESO=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[H-].[H-].[Pb]
InChIInChI=1S/2C7H12O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*6H,1-5H2,(H,8,9);;;/q;;;2*-1/p-2
InChIKeyDBXFUWROGXYEOZ-UHFFFAOYSA-L
MW463.54 g/mol
LogP0.48
Rot. Bonds2

About CID 171703364

CID 171703364 (PubChem CID 171703364) has the molecular formula C14H24O4Pb-4 and a molecular weight of 463.54 g/mol.

Molecular Properties

Compound NameCID 171703364
PubChem CID171703364
Molecular FormulaC14H24O4Pb-4
Molecular Weight463.54 g/mol
Exact Mass464.15
IUPAC Name—
SMILESO=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[H-].[H-].[Pb]
InChIInChI=1S/2C7H12O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*6H,1-5H2,(H,8,9);;;/q;;;2*-1/p-2
InChIKeyDBXFUWROGXYEOZ-UHFFFAOYSA-L
XLogP0.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 171703364?
The IUPAC name of CID 171703364 (CID 171703364) is not available.
What is the SMILES notation for CID 171703364?
The canonical SMILES for CID 171703364 is O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[H-].[H-].[Pb].
What is the InChIKey of CID 171703364?
The InChIKey is DBXFUWROGXYEOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H12O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*6H,1-5H2,(H,8,9);;;/q;;;2*-1/p-2.
What are the key properties of CID 171703364?
CID 171703364 has a molecular weight of 463.54 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171703364 is sourced from PubChem (CID 171703364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).