CID 134873473

C7H12Cr2O2 — CID 134873473

IUPAC—
SMILESCC(=[Cr])OCCCOC(C)=[Cr]
InChIInChI=1S/C7H12O2.2Cr/c1-3-8-6-5-7-9-4-2;;/h5-7H2,1-2H3;;
InChIKeyIUUWTRTXCXUQOO-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.80
Rot. Bonds6

About CID 134873473

CID 134873473 (PubChem CID 134873473) has the molecular formula C7H12Cr2O2 and a molecular weight of 232.16 g/mol.

Molecular Properties

Compound NameCID 134873473
PubChem CID134873473
Molecular FormulaC7H12Cr2O2
Molecular Weight232.16 g/mol
Exact Mass231.96
IUPAC Name—
SMILESCC(=[Cr])OCCCOC(C)=[Cr]
InChIInChI=1S/C7H12O2.2Cr/c1-3-8-6-5-7-9-4-2;;/h5-7H2,1-2H3;;
InChIKeyIUUWTRTXCXUQOO-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134873473?
The IUPAC name of CID 134873473 (CID 134873473) is not available.
What is the SMILES notation for CID 134873473?
The canonical SMILES for CID 134873473 is CC(=[Cr])OCCCOC(C)=[Cr].
What is the InChIKey of CID 134873473?
The InChIKey is IUUWTRTXCXUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.2Cr/c1-3-8-6-5-7-9-4-2;;/h5-7H2,1-2H3;;.
What are the key properties of CID 134873473?
CID 134873473 has a molecular weight of 232.16 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134873473 is sourced from PubChem (CID 134873473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).