(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne

C10H14 — CID 13415271

IUPAC(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne
SMILESC/C=C(\C)C#C/C(C)=C/C
InChIInChI=1S/C10H14/c1-5-9(3)7-8-10(4)6-2/h5-6H,1-4H3/b9-5+,10-6+
InChIKeyXNXUVIQXKVKKGS-NXZHAISVSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds

About (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne

(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne (PubChem CID 13415271) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne.

Molecular Properties

Compound Name(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne
PubChem CID13415271
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne
SMILESC/C=C(\C)C#C/C(C)=C/C
InChIInChI=1S/C10H14/c1-5-9(3)7-8-10(4)6-2/h5-6H,1-4H3/b9-5+,10-6+
InChIKeyXNXUVIQXKVKKGS-NXZHAISVSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne?
The IUPAC name of (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne (CID 13415271) is (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne.
What is the SMILES notation for (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne?
The canonical SMILES for (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne is C/C=C(\C)C#C/C(C)=C/C.
What is the InChIKey of (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne?
The InChIKey is XNXUVIQXKVKKGS-NXZHAISVSA-N. The full InChI is InChI=1S/C10H14/c1-5-9(3)7-8-10(4)6-2/h5-6H,1-4H3/b9-5+,10-6+.
What are the key properties of (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne?
(2E,6E)-3,6-dimethylocta-2,6-dien-4-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,6-dimethylocta-2,6-dien-4-yne is sourced from PubChem (CID 13415271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).