[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium

C7H9ClCrO3 — CID 11003146

IUPAC[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium
SMILESCOCOC(=[Cr])C1=C(Cl)CCO1
InChIInChI=1S/C7H9ClO3.Cr/c1-9-5-10-4-7-6(8)2-3-11-7;/h2-3,5H2,1H3;
InChIKeyJIKXUGLFTMPPMS-UHFFFAOYSA-N
MW228.59 g/mol
LogP1.15
Rot. Bonds4

About [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium

[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium (PubChem CID 11003146) has the molecular formula C7H9ClCrO3 and a molecular weight of 228.59 g/mol. Its IUPAC name is [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium.

Molecular Properties

Compound Name[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium
PubChem CID11003146
Molecular FormulaC7H9ClCrO3
Molecular Weight228.59 g/mol
Exact Mass227.96
IUPAC Name[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium
SMILESCOCOC(=[Cr])C1=C(Cl)CCO1
InChIInChI=1S/C7H9ClO3.Cr/c1-9-5-10-4-7-6(8)2-3-11-7;/h2-3,5H2,1H3;
InChIKeyJIKXUGLFTMPPMS-UHFFFAOYSA-N
XLogP1.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.59
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium?
The IUPAC name of [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium (CID 11003146) is [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium.
What is the SMILES notation for [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium?
The canonical SMILES for [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium is COCOC(=[Cr])C1=C(Cl)CCO1.
What is the InChIKey of [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium?
The InChIKey is JIKXUGLFTMPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3.Cr/c1-9-5-10-4-7-6(8)2-3-11-7;/h2-3,5H2,1H3;.
What are the key properties of [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium?
[(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium has a molecular weight of 228.59 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-2,3-dihydrofuran-5-yl)-(methoxymethoxy)methylidene]chromium is sourced from PubChem (CID 11003146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).