methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene

C18H44 — CID 144531005

IUPACmethane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
SMILESC.C.C.C.C.C.C/C=C(C)/C(C)=C(C)\C(C)=C\C
InChIInChI=1S/C12H20.6CH4/c1-7-9(3)11(5)12(6)10(4)8-2;;;;;;/h7-8H,1-6H3;6*1H4/b9-7+,10-8+,12-11-;;;;;;
InChIKeyQIZJZZBCGCWLRF-QJHLYLNFSA-N
MW260.55 g/mol
LogP8.07
Rot. Bonds2

About methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene

methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene (PubChem CID 144531005) has the molecular formula C18H44 and a molecular weight of 260.55 g/mol. Its IUPAC name is methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene.

Molecular Properties

Compound Namemethane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
PubChem CID144531005
Molecular FormulaC18H44
Molecular Weight260.55 g/mol
Exact Mass260.34
IUPAC Namemethane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
SMILESC.C.C.C.C.C.C/C=C(C)/C(C)=C(C)\C(C)=C\C
InChIInChI=1S/C12H20.6CH4/c1-7-9(3)11(5)12(6)10(4)8-2;;;;;;/h7-8H,1-6H3;6*1H4/b9-7+,10-8+,12-11-;;;;;;
InChIKeyQIZJZZBCGCWLRF-QJHLYLNFSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.55
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentamethylocta-2,4,6-triene
CID 59782678
(2E)-2,3,4-trimethylhexa-2,4-dienoic acid
CID 59888264
2,3-dimethyl-1-silylpenta-1,3-dien-1-amine
CID 174949270
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
(2Z,4E,6Z)-5,6-dimethylocta-2,4,6-trien-4-amine
CID 154950362
3,4,5-trimethylocta-2,4-diene
CID 54130832
(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
CID 5466616
3-methylpent-3-en-2-ylidenetungsten
CID 23389049
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
1,1,1-trifluoro-3,4-dimethylhexa-2,4-diene
CID 71376689
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one
CID 158336786
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420

Frequently Asked Questions

What is the IUPAC name of methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene?
The IUPAC name of methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene (CID 144531005) is methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene.
What is the SMILES notation for methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene?
The canonical SMILES for methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene is C.C.C.C.C.C.C/C=C(C)/C(C)=C(C)\C(C)=C\C.
What is the InChIKey of methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene?
The InChIKey is QIZJZZBCGCWLRF-QJHLYLNFSA-N. The full InChI is InChI=1S/C12H20.6CH4/c1-7-9(3)11(5)12(6)10(4)8-2;;;;;;/h7-8H,1-6H3;6*1H4/b9-7+,10-8+,12-11-;;;;;;.
What are the key properties of methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene?
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene has a molecular weight of 260.55 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene is sourced from PubChem (CID 144531005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).