carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium

C14H14CrO7 — CID 134980625

IUPACcarbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium
SMILESCOC(=[Cr])[C@@H]1CCC=C[C@@H]1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H14O2.5CO.Cr/c1-10-7-8-5-3-4-6-9(8)11-2;5*1-2;/h4,6,8-9H,3,5H2,1-2H3;;;;;;/t8-,9-;;;;;;/m0....../s1
InChIKeyIDTZEGRFVMETDZ-KFGRDHEPSA-N
MW346.26 g/mol
LogP1.10
Rot. Bonds3

About carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium

carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium (PubChem CID 134980625) has the molecular formula C14H14CrO7 and a molecular weight of 346.26 g/mol. Its IUPAC name is carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium
PubChem CID134980625
Molecular FormulaC14H14CrO7
Molecular Weight346.26 g/mol
Exact Mass346.01
IUPAC Namecarbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium
SMILESCOC(=[Cr])[C@@H]1CCC=C[C@@H]1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H14O2.5CO.Cr/c1-10-7-8-5-3-4-6-9(8)11-2;5*1-2;/h4,6,8-9H,3,5H2,1-2H3;;;;;;/t8-,9-;;;;;;/m0....../s1
InChIKeyIDTZEGRFVMETDZ-KFGRDHEPSA-N
XLogP1.10
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-2-methoxycyclohex-3-ene-1-carboxylic acid
CID 45084870
1-(2-methoxycyclohex-3-en-1-yl)propan-1-one
CID 76582081
dimethyl (1R,2S)-cyclohex-3-ene-1,2-dicarboxylate
CID 134992131
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 12726625
2-methylcyclohex-3-ene-1-carbonyl chloride
CID 45081350
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
[(1S,2S)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 11344622
(6-methylcyclohex-2-en-1-yl) carbamate
CID 174949561
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
CID 10919705
N-methoxy-N-methylcyclopent-2-ene-1-carboxamide
CID 141079479

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium?
The IUPAC name of carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium (CID 134980625) is carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium.
What is the SMILES notation for carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium?
The canonical SMILES for carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium is COC(=[Cr])[C@@H]1CCC=C[C@@H]1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium?
The InChIKey is IDTZEGRFVMETDZ-KFGRDHEPSA-N. The full InChI is InChI=1S/C9H14O2.5CO.Cr/c1-10-7-8-5-3-4-6-9(8)11-2;5*1-2;/h4,6,8-9H,3,5H2,1-2H3;;;;;;/t8-,9-;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium?
carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium has a molecular weight of 346.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium is sourced from PubChem (CID 134980625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).