(6E)-8-butoxyocta-1,6-diene

C12H22O — CID 5362673

IUPAC(6E)-8-butoxyocta-1,6-diene
SMILESC=CCCC/C=C/COCCCC
InChIInChI=1S/C12H22O/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3,9-10H,1,4-8,11-12H2,2H3/b10-9+
InChIKeyDLDZPEXXODAGIH-MDZDMXLPSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds9

About (6E)-8-butoxyocta-1,6-diene

(6E)-8-butoxyocta-1,6-diene (PubChem CID 5362673) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6E)-8-butoxyocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-butoxyocta-1,6-diene
PubChem CID5362673
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6E)-8-butoxyocta-1,6-diene
SMILESC=CCCC/C=C/COCCCC
InChIInChI=1S/C12H22O/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3,9-10H,1,4-8,11-12H2,2H3/b10-9+
InChIKeyDLDZPEXXODAGIH-MDZDMXLPSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.72
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 (6E)-8-butoxyocta-1,6-diene?
The IUPAC name of (6E)-8-butoxyocta-1,6-diene (CID 5362673) is (6E)-8-butoxyocta-1,6-diene.
What is the SMILES notation for (6E)-8-butoxyocta-1,6-diene?
The canonical SMILES for (6E)-8-butoxyocta-1,6-diene is C=CCCC/C=C/COCCCC.
What is the InChIKey of (6E)-8-butoxyocta-1,6-diene?
The InChIKey is DLDZPEXXODAGIH-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3,9-10H,1,4-8,11-12H2,2H3/b10-9+.
What are the key properties of (6E)-8-butoxyocta-1,6-diene?
(6E)-8-butoxyocta-1,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-butoxyocta-1,6-diene is sourced from PubChem (CID 5362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).