2,3,5-trimethylocta-1,5-diene

C11H20 — CID 123730712

IUPAC2,3,5-trimethylocta-1,5-diene
SMILESC=C(C)C(C)CC(C)=CCC
InChIInChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h7,11H,2,6,8H2,1,3-5H3
InChIKeyOCZZJAKPHPKSTM-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds4

About 2,3,5-trimethylocta-1,5-diene

2,3,5-trimethylocta-1,5-diene (PubChem CID 123730712) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3,5-trimethylocta-1,5-diene.

Molecular Properties

Compound Name2,3,5-trimethylocta-1,5-diene
PubChem CID123730712
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,3,5-trimethylocta-1,5-diene
SMILESC=C(C)C(C)CC(C)=CCC
InChIInChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h7,11H,2,6,8H2,1,3-5H3
InChIKeyOCZZJAKPHPKSTM-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylocta-1,5-diene?
The IUPAC name of 2,3,5-trimethylocta-1,5-diene (CID 123730712) is 2,3,5-trimethylocta-1,5-diene.
What is the SMILES notation for 2,3,5-trimethylocta-1,5-diene?
The canonical SMILES for 2,3,5-trimethylocta-1,5-diene is C=C(C)C(C)CC(C)=CCC.
What is the InChIKey of 2,3,5-trimethylocta-1,5-diene?
The InChIKey is OCZZJAKPHPKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h7,11H,2,6,8H2,1,3-5H3.
What are the key properties of 2,3,5-trimethylocta-1,5-diene?
2,3,5-trimethylocta-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylocta-1,5-diene is sourced from PubChem (CID 123730712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).