3,3,7-trimethylocta-1,6-diene

C11H20 — CID 10986446

IUPAC3,3,7-trimethylocta-1,6-diene
SMILESC=CC(C)(C)CCC=C(C)C
InChIInChI=1S/C11H20/c1-6-11(4,5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChIKeyBCDJCVRHBXSSQH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds4

About 3,3,7-trimethylocta-1,6-diene

3,3,7-trimethylocta-1,6-diene (PubChem CID 10986446) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,3,7-trimethylocta-1,6-diene.

Molecular Properties

Compound Name3,3,7-trimethylocta-1,6-diene
PubChem CID10986446
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,3,7-trimethylocta-1,6-diene
SMILESC=CC(C)(C)CCC=C(C)C
InChIInChI=1S/C11H20/c1-6-11(4,5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChIKeyBCDJCVRHBXSSQH-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 3,3,7-trimethylocta-1,6-diene?
The IUPAC name of 3,3,7-trimethylocta-1,6-diene (CID 10986446) is 3,3,7-trimethylocta-1,6-diene.
What is the SMILES notation for 3,3,7-trimethylocta-1,6-diene?
The canonical SMILES for 3,3,7-trimethylocta-1,6-diene is C=CC(C)(C)CCC=C(C)C.
What is the InChIKey of 3,3,7-trimethylocta-1,6-diene?
The InChIKey is BCDJCVRHBXSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-11(4,5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3.
What are the key properties of 3,3,7-trimethylocta-1,6-diene?
3,3,7-trimethylocta-1,6-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 3,3,7-trimethylocta-1,6-diene is sourced from PubChem (CID 10986446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).