3,5-dimethylhepta-2,4-diene

C9H16 — CID 53424938

IUPAC3,5-dimethylhepta-2,4-diene
SMILESCC=C(C)C=C(C)CC
InChIInChI=1S/C9H16/c1-5-8(3)7-9(4)6-2/h5,7H,6H2,1-4H3
InChIKeyUCZAREQHYMBQOS-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds2

About 3,5-dimethylhepta-2,4-diene

3,5-dimethylhepta-2,4-diene (PubChem CID 53424938) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3,5-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name3,5-dimethylhepta-2,4-diene
PubChem CID53424938
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3,5-dimethylhepta-2,4-diene
SMILESCC=C(C)C=C(C)CC
InChIInChI=1S/C9H16/c1-5-8(3)7-9(4)6-2/h5,7H,6H2,1-4H3
InChIKeyUCZAREQHYMBQOS-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhepta-2,4-diene?
The IUPAC name of 3,5-dimethylhepta-2,4-diene (CID 53424938) is 3,5-dimethylhepta-2,4-diene.
What is the SMILES notation for 3,5-dimethylhepta-2,4-diene?
The canonical SMILES for 3,5-dimethylhepta-2,4-diene is CC=C(C)C=C(C)CC.
What is the InChIKey of 3,5-dimethylhepta-2,4-diene?
The InChIKey is UCZAREQHYMBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-8(3)7-9(4)6-2/h5,7H,6H2,1-4H3.
What are the key properties of 3,5-dimethylhepta-2,4-diene?
3,5-dimethylhepta-2,4-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 3,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 53424938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).