carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium

C13H14CrO7 — CID 11045890

IUPACcarbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium
SMILESCC(O)CCOC(=[Cr])C1CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H14O2.5CO.Cr/c1-7(9)4-5-10-6-8-2-3-8;5*1-2;/h7-9H,2-5H2,1H3;;;;;;
InChIKeyDETLEGWFSMOPQY-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.67
Rot. Bonds5

About carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium

carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium (PubChem CID 11045890) has the molecular formula C13H14CrO7 and a molecular weight of 334.24 g/mol. Its IUPAC name is carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium
PubChem CID11045890
Molecular FormulaC13H14CrO7
Molecular Weight334.24 g/mol
Exact Mass334.01
IUPAC Namecarbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium
SMILESCC(O)CCOC(=[Cr])C1CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H14O2.5CO.Cr/c1-7(9)4-5-10-6-8-2-3-8;5*1-2;/h7-9H,2-5H2,1H3;;;;;;
InChIKeyDETLEGWFSMOPQY-UHFFFAOYSA-N
XLogP0.67
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium?
The IUPAC name of carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium (CID 11045890) is carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium?
The canonical SMILES for carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium is CC(O)CCOC(=[Cr])C1CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium?
The InChIKey is DETLEGWFSMOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.5CO.Cr/c1-7(9)4-5-10-6-8-2-3-8;5*1-2;/h7-9H,2-5H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium?
carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium has a molecular weight of 334.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[cyclopropyl(3-hydroxybutoxy)methylidene]chromium is sourced from PubChem (CID 11045890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).