2,7-dimethylocta-1,4-diene

C10H18 — CID 91198698

IUPAC2,7-dimethylocta-1,4-diene
SMILESC=C(C)CC=CCC(C)C
InChIInChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3
InChIKeyWCUWQIUELVOHKY-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds4

About 2,7-dimethylocta-1,4-diene

2,7-dimethylocta-1,4-diene (PubChem CID 91198698) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,7-dimethylocta-1,4-diene.

Molecular Properties

Compound Name2,7-dimethylocta-1,4-diene
PubChem CID91198698
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,7-dimethylocta-1,4-diene
SMILESC=C(C)CC=CCC(C)C
InChIInChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3
InChIKeyWCUWQIUELVOHKY-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
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 2,7-dimethylocta-1,4-diene?
The IUPAC name of 2,7-dimethylocta-1,4-diene (CID 91198698) is 2,7-dimethylocta-1,4-diene.
What is the SMILES notation for 2,7-dimethylocta-1,4-diene?
The canonical SMILES for 2,7-dimethylocta-1,4-diene is C=C(C)CC=CCC(C)C.
What is the InChIKey of 2,7-dimethylocta-1,4-diene?
The InChIKey is WCUWQIUELVOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3.
What are the key properties of 2,7-dimethylocta-1,4-diene?
2,7-dimethylocta-1,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-1,4-diene is sourced from PubChem (CID 91198698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).