2,2-dimethylocta-3,4-diene

C10H18 — CID 546167

IUPAC2,2-dimethylocta-3,4-diene
SMILESCCCC=C=CC(C)(C)C
InChIInChI=1S/C10H18/c1-5-6-7-8-9-10(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyXLSAUASADCDILJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.54
Rot. Bonds2

About 2,2-dimethylocta-3,4-diene

2,2-dimethylocta-3,4-diene (PubChem CID 546167) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,2-dimethylocta-3,4-diene.

Molecular Properties

Compound Name2,2-dimethylocta-3,4-diene
PubChem CID546167
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,2-dimethylocta-3,4-diene
SMILESCCCC=C=CC(C)(C)C
InChIInChI=1S/C10H18/c1-5-6-7-8-9-10(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyXLSAUASADCDILJ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylocta-3,4-diene?
The IUPAC name of 2,2-dimethylocta-3,4-diene (CID 546167) is 2,2-dimethylocta-3,4-diene.
What is the SMILES notation for 2,2-dimethylocta-3,4-diene?
The canonical SMILES for 2,2-dimethylocta-3,4-diene is CCCC=C=CC(C)(C)C.
What is the InChIKey of 2,2-dimethylocta-3,4-diene?
The InChIKey is XLSAUASADCDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-6-7-8-9-10(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethylocta-3,4-diene?
2,2-dimethylocta-3,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylocta-3,4-diene is sourced from PubChem (CID 546167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).