(6E)-8-butoxy-3,6-dimethylocta-1,6-diene

C14H26O — CID 87449611

IUPAC(6E)-8-butoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCCCC
InChIInChI=1S/C14H26O/c1-5-7-11-15-12-10-14(4)9-8-13(3)6-2/h6,10,13H,2,5,7-9,11-12H2,1,3-4H3/b14-10+
InChIKeyAZAHPDHGIKUOGD-GXDHUFHOSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds9

About (6E)-8-butoxy-3,6-dimethylocta-1,6-diene

(6E)-8-butoxy-3,6-dimethylocta-1,6-diene (PubChem CID 87449611) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (6E)-8-butoxy-3,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-butoxy-3,6-dimethylocta-1,6-diene
PubChem CID87449611
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(6E)-8-butoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCCCC
InChIInChI=1S/C14H26O/c1-5-7-11-15-12-10-14(4)9-8-13(3)6-2/h6,10,13H,2,5,7-9,11-12H2,1,3-4H3/b14-10+
InChIKeyAZAHPDHGIKUOGD-GXDHUFHOSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
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-butoxy-3,6-dimethylocta-1,6-diene?
The IUPAC name of (6E)-8-butoxy-3,6-dimethylocta-1,6-diene (CID 87449611) is (6E)-8-butoxy-3,6-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-8-butoxy-3,6-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-8-butoxy-3,6-dimethylocta-1,6-diene is C=CC(C)CC/C(C)=C/COCCCC.
What is the InChIKey of (6E)-8-butoxy-3,6-dimethylocta-1,6-diene?
The InChIKey is AZAHPDHGIKUOGD-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H26O/c1-5-7-11-15-12-10-14(4)9-8-13(3)6-2/h6,10,13H,2,5,7-9,11-12H2,1,3-4H3/b14-10+.
What are the key properties of (6E)-8-butoxy-3,6-dimethylocta-1,6-diene?
(6E)-8-butoxy-3,6-dimethylocta-1,6-diene has a molecular weight of 210.36 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-butoxy-3,6-dimethylocta-1,6-diene is sourced from PubChem (CID 87449611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).