[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten

C11H19NOW — CID 156868549

IUPAC[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten
SMILESC/C=C/C=C\C(=[W])OCCCN(C)C
InChIInChI=1S/C11H19NO.W/c1-4-5-6-7-10-13-11-8-9-12(2)3;/h4-7H,8-9,11H2,1-3H3;/b5-4+,7-6-;
InChIKeyXAGFMQJFHCDKPB-NDOZFENSSA-N
MW365.12 g/mol
LogP1.76
Rot. Bonds7

About [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten

[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten (PubChem CID 156868549) has the molecular formula C11H19NOW and a molecular weight of 365.12 g/mol. Its IUPAC name is [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten
PubChem CID156868549
Molecular FormulaC11H19NOW
Molecular Weight365.12 g/mol
Exact Mass365.10
IUPAC Name[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten
SMILESC/C=C/C=C\C(=[W])OCCCN(C)C
InChIInChI=1S/C11H19NO.W/c1-4-5-6-7-10-13-11-8-9-12(2)3;/h4-7H,8-9,11H2,1-3H3;/b5-4+,7-6-;
InChIKeyXAGFMQJFHCDKPB-NDOZFENSSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(allyloxy)-N,N-dimethylpropan-1-amine
CID 22650008
Trimethyl(3-prop-2-enoxypropyl)azanium
CID 87064812
magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
CID 87528633
2-[(2Z,4Z)-hexa-2,4-dienoxy]-N,N-dimethylethanamine
CID 117986318
(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine
CID 139382242
N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine
CID 139904425
N,N-diethyl-3-prop-2-enoxypropan-1-amine
CID 140286809
3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976049
ethane;3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976054
N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
CID 142845365
N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
CID 143804228
N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypropan-1-amine;ethane
CID 143824321

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten (CID 156868549) is [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten is C/C=C/C=C\C(=[W])OCCCN(C)C.
What is the InChIKey of [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten?
The InChIKey is XAGFMQJFHCDKPB-NDOZFENSSA-N. The full InChI is InChI=1S/C11H19NO.W/c1-4-5-6-7-10-13-11-8-9-12(2)3;/h4-7H,8-9,11H2,1-3H3;/b5-4+,7-6-;.
What are the key properties of [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten?
[(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten has a molecular weight of 365.12 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-1-[3-(dimethylamino)propoxy]hexa-2,4-dienylidene]tungsten is sourced from PubChem (CID 156868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).