[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide

C14H12CrO8 — CID 134877687

IUPAC[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])C1=C[C@@H]2CCO[C@@H]2O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H12O3.5CO.Cr/c1-2-10-6-8-5-7-3-4-11-9(7)12-8;5*1-2;/h5,7,9H,2-4H2,1H3;;;;;;/t7-,9+;;;;;;/m0....../s1
InChIKeyCKFIVKHVJDNOFW-CAHSXCLXSA-N
MW360.24 g/mol
LogP0.79
Rot. Bonds3

About [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide

[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide (PubChem CID 134877687) has the molecular formula C14H12CrO8 and a molecular weight of 360.24 g/mol. Its IUPAC name is [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide.

Molecular Properties

Compound Name[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide
PubChem CID134877687
Molecular FormulaC14H12CrO8
Molecular Weight360.24 g/mol
Exact Mass359.99
IUPAC Name[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])C1=C[C@@H]2CCO[C@@H]2O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H12O3.5CO.Cr/c1-2-10-6-8-5-7-3-4-11-9(7)12-8;5*1-2;/h5,7,9H,2-4H2,1H3;;;;;;/t7-,9+;;;;;;/m0....../s1
InChIKeyCKFIVKHVJDNOFW-CAHSXCLXSA-N
XLogP0.79
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide?
The IUPAC name of [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide (CID 134877687) is [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide.
What is the SMILES notation for [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide?
The canonical SMILES for [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide is CCOC(=[Cr])C1=C[C@@H]2CCO[C@@H]2O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide?
The InChIKey is CKFIVKHVJDNOFW-CAHSXCLXSA-N. The full InChI is InChI=1S/C9H12O3.5CO.Cr/c1-2-10-6-8-5-7-3-4-11-9(7)12-8;5*1-2;/h5,7,9H,2-4H2,1H3;;;;;;/t7-,9+;;;;;;/m0....../s1.
What are the key properties of [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide?
[[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide has a molecular weight of 360.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-5-yl]-ethoxymethylidene]chromium;carbon monoxide is sourced from PubChem (CID 134877687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).