carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum

C17H18MoO6 — CID 135047606

IUPACcarbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
SMILESC=C/C=C/COCC(=[Mo])C1=C(C)OCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2.4CO.Mo/c1-3-4-5-9-14-11-8-13-7-6-10-15-12(13)2;4*1-2;/h3-5H,1,6-7,9-11H2,2H3;;;;;/b5-4+;;;;;
InChIKeyWWCJIQDKGBWMRU-FNMVVZLKSA-N
MW414.27 g/mol
LogP2.40
Rot. Bonds6

About carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum

carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum (PubChem CID 135047606) has the molecular formula C17H18MoO6 and a molecular weight of 414.27 g/mol. Its IUPAC name is carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum.

Molecular Properties

Compound Namecarbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
PubChem CID135047606
Molecular FormulaC17H18MoO6
Molecular Weight414.27 g/mol
Exact Mass416.02
IUPAC Namecarbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
SMILESC=C/C=C/COCC(=[Mo])C1=C(C)OCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2.4CO.Mo/c1-3-4-5-9-14-11-8-13-7-6-10-15-12(13)2;4*1-2;/h3-5H,1,6-7,9-11H2,2H3;;;;;/b5-4+;;;;;
InChIKeyWWCJIQDKGBWMRU-FNMVVZLKSA-N
XLogP2.40
TPSA98.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 24773406
2,10,13,17,20,24-Hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene
CID 91247030
5-methylidene-2-pentyl-2H-pyran
CID 101746192
1-[(Z)-1,2-dimethoxyethenyl]cyclohexene
CID 134985663
(2E,4E,6E,8Z)-4-ethoxy-5-[(E)-1-ethoxybut-2-en-2-yl]-10-fluoro-6-prop-2-enylidenedeca-2,4,8-triene
CID 144334413
(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
CID 145122388
(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145122776
3-(1'-Methylbutylidene)-4,5-dihydrophthalide
CID 6428797
3n-Valeryl-4,5-dihydrophthalide
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5-(oxolan-2-yl)-2H-pyran
CID 18407563

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum?
The IUPAC name of carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum (CID 135047606) is carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum.
What is the SMILES notation for carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum?
The canonical SMILES for carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum is C=C/C=C/COCC(=[Mo])C1=C(C)OCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum?
The InChIKey is WWCJIQDKGBWMRU-FNMVVZLKSA-N. The full InChI is InChI=1S/C13H18O2.4CO.Mo/c1-3-4-5-9-14-11-8-13-7-6-10-15-12(13)2;4*1-2;/h3-5H,1,6-7,9-11H2,2H3;;;;;/b5-4+;;;;;.
What are the key properties of carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum?
carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum has a molecular weight of 414.27 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum is sourced from PubChem (CID 135047606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).