2,3,4,5,6-pentamethylocta-2,4,6-triene

C13H22 — CID 59782678

IUPAC2,3,4,5,6-pentamethylocta-2,4,6-triene
SMILESCC=C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C13H22/c1-8-10(4)12(6)13(7)11(5)9(2)3/h8H,1-7H3
InChIKeyLRZQGWGRTFUCNK-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds2

About 2,3,4,5,6-pentamethylocta-2,4,6-triene

2,3,4,5,6-pentamethylocta-2,4,6-triene (PubChem CID 59782678) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylocta-2,4,6-triene.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylocta-2,4,6-triene
PubChem CID59782678
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,3,4,5,6-pentamethylocta-2,4,6-triene
SMILESCC=C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C13H22/c1-8-10(4)12(6)13(7)11(5)9(2)3/h8H,1-7H3
InChIKeyLRZQGWGRTFUCNK-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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

methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
(2E)-2,3,4-trimethylhexa-2,4-dienoic acid
CID 59888264
1,1,1-trifluoro-3,4-dimethylhexa-2,4-diene
CID 71376689
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
2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene
CID 123312378
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylocta-2,4,6-triene?
The IUPAC name of 2,3,4,5,6-pentamethylocta-2,4,6-triene (CID 59782678) is 2,3,4,5,6-pentamethylocta-2,4,6-triene.
What is the SMILES notation for 2,3,4,5,6-pentamethylocta-2,4,6-triene?
The canonical SMILES for 2,3,4,5,6-pentamethylocta-2,4,6-triene is CC=C(C)C(C)=C(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4,5,6-pentamethylocta-2,4,6-triene?
The InChIKey is LRZQGWGRTFUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-8-10(4)12(6)13(7)11(5)9(2)3/h8H,1-7H3.
What are the key properties of 2,3,4,5,6-pentamethylocta-2,4,6-triene?
2,3,4,5,6-pentamethylocta-2,4,6-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylocta-2,4,6-triene is sourced from PubChem (CID 59782678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).