[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium

C6H10CrO2 — CID 10984817

IUPAC[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium
SMILESCO/C(C)=C(/C)C(O)=[Cr]
InChIInChI=1S/C6H10O2.Cr/c1-5(4-7)6(2)8-3;/h7H,1-3H3;/b6-5-;
InChIKeySSDLNHFJXPQHKP-YSMBQZINSA-N
MW166.14 g/mol
LogP0.98
Rot. Bonds2

About [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium

[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium (PubChem CID 10984817) has the molecular formula C6H10CrO2 and a molecular weight of 166.14 g/mol. Its IUPAC name is [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium.

Molecular Properties

Compound Name[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium
PubChem CID10984817
Molecular FormulaC6H10CrO2
Molecular Weight166.14 g/mol
Exact Mass166.01
IUPAC Name[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium
SMILESCO/C(C)=C(/C)C(O)=[Cr]
InChIInChI=1S/C6H10O2.Cr/c1-5(4-7)6(2)8-3;/h7H,1-3H3;/b6-5-;
InChIKeySSDLNHFJXPQHKP-YSMBQZINSA-N
XLogP0.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium?
The IUPAC name of [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium (CID 10984817) is [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium.
What is the SMILES notation for [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium?
The canonical SMILES for [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium is CO/C(C)=C(/C)C(O)=[Cr].
What is the InChIKey of [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium?
The InChIKey is SSDLNHFJXPQHKP-YSMBQZINSA-N. The full InChI is InChI=1S/C6H10O2.Cr/c1-5(4-7)6(2)8-3;/h7H,1-3H3;/b6-5-;.
What are the key properties of [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium?
[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium has a molecular weight of 166.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium is sourced from PubChem (CID 10984817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).