carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium

C21H22CrO7S — CID 135077081

IUPACcarbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\Sc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H22O2S.5CO.Cr/c1-5-17-13-12-15(16(3,4)18-6-2)19-14-10-8-7-9-11-14;5*1-2;/h7-12H,5-6H2,1-4H3;;;;;;/b15-12-;;;;;;
InChIKeyHIRJDAAAUYCABO-ANBNCHPFSA-N
MW470.46 g/mol
LogP4.00
Rot. Bonds8

About carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium

carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium (PubChem CID 135077081) has the molecular formula C21H22CrO7S and a molecular weight of 470.46 g/mol. Its IUPAC name is carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
PubChem CID135077081
Molecular FormulaC21H22CrO7S
Molecular Weight470.46 g/mol
Exact Mass470.05
IUPAC Namecarbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\Sc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H22O2S.5CO.Cr/c1-5-17-13-12-15(16(3,4)18-6-2)19-14-10-8-7-9-11-14;5*1-2;/h7-12H,5-6H2,1-4H3;;;;;;/b15-12-;;;;;;
InChIKeyHIRJDAAAUYCABO-ANBNCHPFSA-N
XLogP4.00
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.00
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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Related Compounds

[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate
CID 373326
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
(2-Methyl-3-phenylsulfanylbut-3-en-2-yl) acetate
CID 11715634
tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
CID 11975278
Benzene, [(2-methoxy-1-methylene-2-propenyl)thio]-
CID 12291781
2,2,5,5-Tetramethyl-3-phenylsulfanylfuran
CID 13171787
3-Bromo-2,2,5,5-tetramethyl-4-phenylsulfanylfuran
CID 13171793
2,2,5,5-Tetramethyl-3,4-bis(phenylsulfanyl)furan
CID 13171794
Chloro-(2,2,5,5-tetramethyl-4-phenylsulfanylfuran-3-yl)mercury
CID 13171795
(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran
CID 15227553
Ethyl 4-phenylsulfanylocta-2,3-dienoate
CID 15446643

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium (CID 135077081) is carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium is CCOC(=[Cr])/C=C(\Sc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium?
The InChIKey is HIRJDAAAUYCABO-ANBNCHPFSA-N. The full InChI is InChI=1S/C16H22O2S.5CO.Cr/c1-5-17-13-12-15(16(3,4)18-6-2)19-14-10-8-7-9-11-14;5*1-2;/h7-12H,5-6H2,1-4H3;;;;;;/b15-12-;;;;;;.
What are the key properties of carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium?
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium has a molecular weight of 470.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium is sourced from PubChem (CID 135077081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).