carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium

C14H14CrO8 — CID 134877900

IUPACcarbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium
SMILESCOC(=[Cr])/C=C/[C@H]1COC(C)(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H14O3.5CO.Cr/c1-9(2)11-7-8(12-9)5-4-6-10-3;5*1-2;/h4-5,8H,7H2,1-3H3;;;;;;/b5-4+;;;;;;/t8-;;;;;;/m0....../s1
InChIKeyRTDFKKVKXFRNRG-DEFKPMCPSA-N
MW362.25 g/mol
LogP0.83
Rot. Bonds3

About carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium

carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium (PubChem CID 134877900) has the molecular formula C14H14CrO8 and a molecular weight of 362.25 g/mol. Its IUPAC name is carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium
PubChem CID134877900
Molecular FormulaC14H14CrO8
Molecular Weight362.25 g/mol
Exact Mass362.01
IUPAC Namecarbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium
SMILESCOC(=[Cr])/C=C/[C@H]1COC(C)(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H14O3.5CO.Cr/c1-9(2)11-7-8(12-9)5-4-6-10-3;5*1-2;/h4-5,8H,7H2,1-3H3;;;;;;/b5-4+;;;;;;/t8-;;;;;;/m0....../s1
InChIKeyRTDFKKVKXFRNRG-DEFKPMCPSA-N
XLogP0.83
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 50.83
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 carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium (CID 134877900) is carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium is COC(=[Cr])/C=C/[C@H]1COC(C)(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium?
The InChIKey is RTDFKKVKXFRNRG-DEFKPMCPSA-N. The full InChI is InChI=1S/C9H14O3.5CO.Cr/c1-9(2)11-7-8(12-9)5-4-6-10-3;5*1-2;/h4-5,8H,7H2,1-3H3;;;;;;/b5-4+;;;;;;/t8-;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium?
carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium has a molecular weight of 362.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxyprop-2-enylidene]chromium is sourced from PubChem (CID 134877900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).