3,5-dimethylocta-3,5-diene

C10H18 — CID 54471932

IUPAC3,5-dimethylocta-3,5-diene
SMILESCCC=C(C)C=C(C)CC
InChIInChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h7-8H,5-6H2,1-4H3
InChIKeyRXFDCHOWTZZQIE-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds3

About 3,5-dimethylocta-3,5-diene

3,5-dimethylocta-3,5-diene (PubChem CID 54471932) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3,5-dimethylocta-3,5-diene.

Molecular Properties

Compound Name3,5-dimethylocta-3,5-diene
PubChem CID54471932
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3,5-dimethylocta-3,5-diene
SMILESCCC=C(C)C=C(C)CC
InChIInChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h7-8H,5-6H2,1-4H3
InChIKeyRXFDCHOWTZZQIE-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
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-dimethylocta-3,5-diene?
The IUPAC name of 3,5-dimethylocta-3,5-diene (CID 54471932) is 3,5-dimethylocta-3,5-diene.
What is the SMILES notation for 3,5-dimethylocta-3,5-diene?
The canonical SMILES for 3,5-dimethylocta-3,5-diene is CCC=C(C)C=C(C)CC.
What is the InChIKey of 3,5-dimethylocta-3,5-diene?
The InChIKey is RXFDCHOWTZZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethylocta-3,5-diene?
3,5-dimethylocta-3,5-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylocta-3,5-diene is sourced from PubChem (CID 54471932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).