(2E)-1-butoxy-3,7-dimethylocta-2,6-diene

C14H26O — CID 14083497

IUPAC(2E)-1-butoxy-3,7-dimethylocta-2,6-diene
SMILESCCCCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H26O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10H,5-7,9,11-12H2,1-4H3/b14-10+
InChIKeyNHCQMVNKPJAQJZ-GXDHUFHOSA-N
MW210.36 g/mol
LogP4.50
Rot. Bonds8

About (2E)-1-butoxy-3,7-dimethylocta-2,6-diene

(2E)-1-butoxy-3,7-dimethylocta-2,6-diene (PubChem CID 14083497) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2E)-1-butoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-butoxy-3,7-dimethylocta-2,6-diene
PubChem CID14083497
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2E)-1-butoxy-3,7-dimethylocta-2,6-diene
SMILESCCCCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H26O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10H,5-7,9,11-12H2,1-4H3/b14-10+
InChIKeyNHCQMVNKPJAQJZ-GXDHUFHOSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-butoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-butoxy-3,7-dimethylocta-2,6-diene (CID 14083497) is (2E)-1-butoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-butoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-butoxy-3,7-dimethylocta-2,6-diene is CCCCOC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-butoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is NHCQMVNKPJAQJZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10H,5-7,9,11-12H2,1-4H3/b14-10+.
What are the key properties of (2E)-1-butoxy-3,7-dimethylocta-2,6-diene?
(2E)-1-butoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 210.36 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 14083497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).