[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten

C8H9Cl2W- — CID 59938659

IUPAC[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten
SMILESC/[C-]=C(Cl)/C(C)=C(/Cl)C(C)=[W]
InChIInChI=1S/C8H9Cl2.W/c1-4-7(9)6(3)8(10)5-2;/h1-3H3;/q-1;/b7-6+;
InChIKeyITHFHVKEBHYEFV-UHDJGPCESA-N
MW359.91 g/mol
LogP3.18
Rot. Bonds2

About [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten

[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten (PubChem CID 59938659) has the molecular formula C8H9Cl2W- and a molecular weight of 359.91 g/mol. Its IUPAC name is [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten.

Molecular Properties

Compound Name[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten
PubChem CID59938659
Molecular FormulaC8H9Cl2W-
Molecular Weight359.91 g/mol
Exact Mass358.96
IUPAC Name[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten
SMILESC/[C-]=C(Cl)/C(C)=C(/Cl)C(C)=[W]
InChIInChI=1S/C8H9Cl2.W/c1-4-7(9)6(3)8(10)5-2;/h1-3H3;/q-1;/b7-6+;
InChIKeyITHFHVKEBHYEFV-UHDJGPCESA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.18
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

CID 102017539
CID 102017539
2-chloroprop-1-en-1-amine
CID 151379752
2,3-dimethylbut-2-enedioyl dichloride
CID 123868279
5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one
CID 13416543
3-methylpent-3-en-2-ylidenetungsten
CID 23389049
hypochlorous acid
CID 161233655
acetyl chloride;methane
CID 161264261
carbonyl dichloride;propan-2-one
CID 161102507
carbanide;ethane;propan-2-ylidenetungsten;yttrium
CID 158273481
3,3-dichloro-2-methylprop-2-enoyl chloride
CID 174907265
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420
(E)-3,4-dichloropent-3-en-2-one
CID 118185098

Frequently Asked Questions

What is the IUPAC name of [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten?
The IUPAC name of [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten (CID 59938659) is [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten.
What is the SMILES notation for [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten?
The canonical SMILES for [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten is C/[C-]=C(Cl)/C(C)=C(/Cl)C(C)=[W].
What is the InChIKey of [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten?
The InChIKey is ITHFHVKEBHYEFV-UHDJGPCESA-N. The full InChI is InChI=1S/C8H9Cl2.W/c1-4-7(9)6(3)8(10)5-2;/h1-3H3;/q-1;/b7-6+;.
What are the key properties of [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten?
[(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten has a molecular weight of 359.91 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3,5-dichloro-4-methylhepta-3,5-dien-2-ylidene]tungsten is sourced from PubChem (CID 59938659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).