2,3,7,7-tetramethylocta-1,5-diene

C12H22 — CID 54573409

IUPAC2,3,7,7-tetramethylocta-1,5-diene
SMILESC=C(C)C(C)CC=CC(C)(C)C
InChIInChI=1S/C12H22/c1-10(2)11(3)8-7-9-12(4,5)6/h7,9,11H,1,8H2,2-6H3
InChIKeyOAWLRQCZABBJIS-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds3

About 2,3,7,7-tetramethylocta-1,5-diene

2,3,7,7-tetramethylocta-1,5-diene (PubChem CID 54573409) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,3,7,7-tetramethylocta-1,5-diene.

Molecular Properties

Compound Name2,3,7,7-tetramethylocta-1,5-diene
PubChem CID54573409
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,3,7,7-tetramethylocta-1,5-diene
SMILESC=C(C)C(C)CC=CC(C)(C)C
InChIInChI=1S/C12H22/c1-10(2)11(3)8-7-9-12(4,5)6/h7,9,11H,1,8H2,2-6H3
InChIKeyOAWLRQCZABBJIS-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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 2,3,7,7-tetramethylocta-1,5-diene?
The IUPAC name of 2,3,7,7-tetramethylocta-1,5-diene (CID 54573409) is 2,3,7,7-tetramethylocta-1,5-diene.
What is the SMILES notation for 2,3,7,7-tetramethylocta-1,5-diene?
The canonical SMILES for 2,3,7,7-tetramethylocta-1,5-diene is C=C(C)C(C)CC=CC(C)(C)C.
What is the InChIKey of 2,3,7,7-tetramethylocta-1,5-diene?
The InChIKey is OAWLRQCZABBJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)11(3)8-7-9-12(4,5)6/h7,9,11H,1,8H2,2-6H3.
What are the key properties of 2,3,7,7-tetramethylocta-1,5-diene?
2,3,7,7-tetramethylocta-1,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethylocta-1,5-diene is sourced from PubChem (CID 54573409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).