carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium

C20H20CrO6 — CID 134877921

IUPACcarbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium
SMILESC#CC/C=C(\C)CC/C=C(\C)COC(=[Cr])C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O.5CO.Cr/c1-5-7-9-14(3)10-8-11-15(4)13-16-12-6-2;5*1-2;/h1,6,9,11H,2,7-8,10,13H2,3-4H3;;;;;;/b14-9+,15-11+;;;;;;
InChIKeyBIKCVJGBWUZDDH-JICMNHJRSA-N
MW408.37 g/mol
LogP3.37
Rot. Bonds8

About carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium

carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium (PubChem CID 134877921) has the molecular formula C20H20CrO6 and a molecular weight of 408.37 g/mol. Its IUPAC name is carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium.

Molecular Properties

Compound Namecarbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium
PubChem CID134877921
Molecular FormulaC20H20CrO6
Molecular Weight408.37 g/mol
Exact Mass408.07
IUPAC Namecarbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium
SMILESC#CC/C=C(\C)CC/C=C(\C)COC(=[Cr])C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O.5CO.Cr/c1-5-7-9-14(3)10-8-11-15(4)13-16-12-6-2;5*1-2;/h1,6,9,11H,2,7-8,10,13H2,3-4H3;;;;;;/b14-9+,15-11+;;;;;;
InChIKeyBIKCVJGBWUZDDH-JICMNHJRSA-N
XLogP3.37
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
(3Z,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821299
(3E,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821300
(3Z,7E,16Z,20E)-3,7,16,20-tetramethyl-1,14-dioxacyclohexacosa-3,7,16,20-tetraen-11,24-diyne
CID 13821329
(2E)-3,7-dimethyl-1-[(5R)-2-methylnona-1,8-dien-3-yn-5-yl]oxyocta-2,6-diene
CID 71614406
Farnesylpropargylether
CID 85784860
Vinylpropargylallyl ether
CID 129859705
(E)-6-methyl-3-(2-methylprop-2-enoxy)-8-prop-2-enoxyoct-6-en-1-yne
CID 135072461
(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne
CID 10921983
CID 16043562
CID 16043562
carbon monoxide;chromium;3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
CID 23181318
(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene
CID 24772884

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium?
The IUPAC name of carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium (CID 134877921) is carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium.
What is the SMILES notation for carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium?
The canonical SMILES for carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium is C#CC/C=C(\C)CC/C=C(\C)COC(=[Cr])C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium?
The InChIKey is BIKCVJGBWUZDDH-JICMNHJRSA-N. The full InChI is InChI=1S/C15H20O.5CO.Cr/c1-5-7-9-14(3)10-8-11-15(4)13-16-12-6-2;5*1-2;/h1,6,9,11H,2,7-8,10,13H2,3-4H3;;;;;;/b14-9+,15-11+;;;;;;.
What are the key properties of carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium?
carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium has a molecular weight of 408.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-2-enylidenechromium is sourced from PubChem (CID 134877921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).