(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten

C15H27OW- — CID 58666226

IUPAC(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten
SMILESC/C=C/C=C\C(OCCC(C)[CH-]C)C(C)C.[W]
InChIInChI=1S/C15H27O.W/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2;/h6-10,13-15H,11-12H2,1-5H3;/q-1;/b8-6+,10-9-;
InChIKeyDJTVCISSKQCBGR-PZFMUWDSSA-N
MW407.22 g/mol
LogP4.41
Rot. Bonds8

About (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten

(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten (PubChem CID 58666226) has the molecular formula C15H27OW- and a molecular weight of 407.22 g/mol. Its IUPAC name is (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten.

Molecular Properties

Compound Name(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten
PubChem CID58666226
Molecular FormulaC15H27OW-
Molecular Weight407.22 g/mol
Exact Mass407.16
IUPAC Name(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten
SMILESC/C=C/C=C\C(OCCC(C)[CH-]C)C(C)C.[W]
InChIInChI=1S/C15H27O.W/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2;/h6-10,13-15H,11-12H2,1-5H3;/q-1;/b8-6+,10-9-;
InChIKeyDJTVCISSKQCBGR-PZFMUWDSSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten?
The IUPAC name of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten (CID 58666226) is (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten.
What is the SMILES notation for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten?
The canonical SMILES for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten is C/C=C/C=C\C(OCCC(C)[CH-]C)C(C)C.[W].
What is the InChIKey of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten?
The InChIKey is DJTVCISSKQCBGR-PZFMUWDSSA-N. The full InChI is InChI=1S/C15H27O.W/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2;/h6-10,13-15H,11-12H2,1-5H3;/q-1;/b8-6+,10-9-;.
What are the key properties of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten?
(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten has a molecular weight of 407.22 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene;tungsten is sourced from PubChem (CID 58666226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).