(5E)-2,5-dimethylhepta-2,5-diene

C9H16 — CID 12688397

IUPAC(5E)-2,5-dimethylhepta-2,5-diene
SMILESC/C=C(\C)CC=C(C)C
InChIInChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5+
InChIKeyFJORMYLVGAJGKQ-WEVVVXLNSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds2

About (5E)-2,5-dimethylhepta-2,5-diene

(5E)-2,5-dimethylhepta-2,5-diene (PubChem CID 12688397) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5E)-2,5-dimethylhepta-2,5-diene.

Molecular Properties

Compound Name(5E)-2,5-dimethylhepta-2,5-diene
PubChem CID12688397
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5E)-2,5-dimethylhepta-2,5-diene
SMILESC/C=C(\C)CC=C(C)C
InChIInChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5+
InChIKeyFJORMYLVGAJGKQ-WEVVVXLNSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(5E)-3,6,7-trimethylocta-2,5-diene
CID 91463486
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(1E)-2,5-dimethylhexa-1,4-diene-1-sulfonyl chloride
CID 123740144
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
2,10-dimethyldodeca-2,6,10-triene
CID 123930349
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
(Z)-2,2,4,7,7-pentamethyloct-4-ene;(E)-2,2,4,7,7-pentamethyloct-4-ene;2,5,5-trimethylhex-2-ene
CID 158213793
hex-1-ene;(4E)-4-methylhexa-1,4-diene;5-methylhexa-1,4-diene
CID 6449801
(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
methyl 6-methyl-3-oxohept-5-enoate
CID 10749667
(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide
CID 123817540

Frequently Asked Questions

What is the IUPAC name of (5E)-2,5-dimethylhepta-2,5-diene?
The IUPAC name of (5E)-2,5-dimethylhepta-2,5-diene (CID 12688397) is (5E)-2,5-dimethylhepta-2,5-diene.
What is the SMILES notation for (5E)-2,5-dimethylhepta-2,5-diene?
The canonical SMILES for (5E)-2,5-dimethylhepta-2,5-diene is C/C=C(\C)CC=C(C)C.
What is the InChIKey of (5E)-2,5-dimethylhepta-2,5-diene?
The InChIKey is FJORMYLVGAJGKQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5+.
What are the key properties of (5E)-2,5-dimethylhepta-2,5-diene?
(5E)-2,5-dimethylhepta-2,5-diene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,5-dimethylhepta-2,5-diene is sourced from PubChem (CID 12688397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).