(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene

C18H34 — CID 158024644

IUPAC(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
SMILESCC(C)/C=C/C(C)C.CC(C)/C=C/C=C/C(C)C
InChIInChI=1S/C10H18.C8H16/c1-9(2)7-5-6-8-10(3)4;1-7(2)5-6-8(3)4/h5-10H,1-4H3;5-8H,1-4H3/b7-5+,8-6+;6-5+
InChIKeyFGLOSIBORVQUMN-FPVLBZLZSA-N
MW250.47 g/mol
LogP6.27
Rot. Bonds5

About (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene

(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene (PubChem CID 158024644) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
PubChem CID158024644
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
SMILESCC(C)/C=C/C(C)C.CC(C)/C=C/C=C/C(C)C
InChIInChI=1S/C10H18.C8H16/c1-9(2)7-5-6-8-10(3)4;1-7(2)5-6-8(3)4/h5-10H,1-4H3;5-8H,1-4H3/b7-5+,8-6+;6-5+
InChIKeyFGLOSIBORVQUMN-FPVLBZLZSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-1-iodo-5-methylhexa-1,3-diene
CID 88539318
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351
(3E,5E)-2,2,7-trimethylocta-3,5-diene
CID 166040106
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
CID 143010225
(E)-5-methylhex-3-en-2-amine
CID 103668442
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
(Z,5R)-2,5,6-trimethylhept-3-ene
CID 155647530
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane
CID 13265400

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene?
The IUPAC name of (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene (CID 158024644) is (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene.
What is the SMILES notation for (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene?
The canonical SMILES for (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene is CC(C)/C=C/C(C)C.CC(C)/C=C/C=C/C(C)C.
What is the InChIKey of (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene?
The InChIKey is FGLOSIBORVQUMN-FPVLBZLZSA-N. The full InChI is InChI=1S/C10H18.C8H16/c1-9(2)7-5-6-8-10(3)4;1-7(2)5-6-8(3)4/h5-10H,1-4H3;5-8H,1-4H3/b7-5+,8-6+;6-5+.
What are the key properties of (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene?
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene has a molecular weight of 250.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene is sourced from PubChem (CID 158024644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).