(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)

C11H18W — CID 58460573

IUPAC(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)
SMILESC/[C-]=C(C)/C(C)=C(/C)[C-](C)C.[W+2]
InChIInChI=1S/C11H18.W/c1-7-9(4)11(6)10(5)8(2)3;/h1-6H3;/q-2;+2/b11-10-;
InChIKeyPJYFHLANLZMBME-GMFCBQQYSA-N
MW334.11 g/mol
LogP3.70
Rot. Bonds2

About (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)

(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+) (PubChem CID 58460573) has the molecular formula C11H18W and a molecular weight of 334.11 g/mol. Its IUPAC name is (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+).

Molecular Properties

Compound Name(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)
PubChem CID58460573
Molecular FormulaC11H18W
Molecular Weight334.11 g/mol
Exact Mass334.09
IUPAC Name(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)
SMILESC/[C-]=C(C)/C(C)=C(/C)[C-](C)C.[W+2]
InChIInChI=1S/C11H18.W/c1-7-9(4)11(6)10(5)8(2)3;/h1-6H3;/q-2;+2/b11-10-;
InChIKeyPJYFHLANLZMBME-GMFCBQQYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-Tetramethylhexa-2,4-diene
CID 635468
Hexamethyl-hexadiene-1,3
CID 129724413
CID 154723318
CID 154723318
(4E)-2,3,4,5-tetramethylhepta-2,4-diene
CID 18738646
Carbanide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten;vanadium(2+)
CID 20614941
Carbanide;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
CID 20672733
[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten
CID 20755224
CID 21304539
CID 21304539
Carbanide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 22948931
Carbanide;1,2,3,4,5-pentamethylbenzene-6-ide;yttrium(3+)
CID 23381602
[(2Z)-2-tert-butyl-3,4-dimethylhexa-2,4-dienylidene]tungsten;yttrium
CID 57696578
[(3Z)-3,4,5-trimethylhepta-3,5-dien-2-ylidene]tungsten
CID 57857464

Frequently Asked Questions

What is the IUPAC name of (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)?
The IUPAC name of (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+) (CID 58460573) is (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+).
What is the SMILES notation for (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)?
The canonical SMILES for (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+) is C/[C-]=C(C)/C(C)=C(/C)[C-](C)C.[W+2].
What is the InChIKey of (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)?
The InChIKey is PJYFHLANLZMBME-GMFCBQQYSA-N. The full InChI is InChI=1S/C11H18.W/c1-7-9(4)11(6)10(5)8(2)3;/h1-6H3;/q-2;+2/b11-10-;.
What are the key properties of (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+)?
(4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+) has a molecular weight of 334.11 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3,4,5,6-tetramethylhepta-2,4-diene;tungsten(2+) is sourced from PubChem (CID 58460573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).