(4E,6E)-1-methoxydeca-4,6-diene

C11H20O — CID 5364203

IUPAC(4E,6E)-1-methoxydeca-4,6-diene
SMILESCCC/C=C/C=C/CCCOC
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h5-8H,3-4,9-11H2,1-2H3/b6-5+,8-7+
InChIKeySTKRJVLTFWPWDV-BSWSSELBSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds7

About (4E,6E)-1-methoxydeca-4,6-diene

(4E,6E)-1-methoxydeca-4,6-diene (PubChem CID 5364203) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4E,6E)-1-methoxydeca-4,6-diene.

Molecular Properties

Compound Name(4E,6E)-1-methoxydeca-4,6-diene
PubChem CID5364203
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4E,6E)-1-methoxydeca-4,6-diene
SMILESCCC/C=C/C=C/CCCOC
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h5-8H,3-4,9-11H2,1-2H3/b6-5+,8-7+
InChIKeySTKRJVLTFWPWDV-BSWSSELBSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-1-methoxydeca-4,6-diene?
The IUPAC name of (4E,6E)-1-methoxydeca-4,6-diene (CID 5364203) is (4E,6E)-1-methoxydeca-4,6-diene.
What is the SMILES notation for (4E,6E)-1-methoxydeca-4,6-diene?
The canonical SMILES for (4E,6E)-1-methoxydeca-4,6-diene is CCC/C=C/C=C/CCCOC.
What is the InChIKey of (4E,6E)-1-methoxydeca-4,6-diene?
The InChIKey is STKRJVLTFWPWDV-BSWSSELBSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h5-8H,3-4,9-11H2,1-2H3/b6-5+,8-7+.
What are the key properties of (4E,6E)-1-methoxydeca-4,6-diene?
(4E,6E)-1-methoxydeca-4,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-1-methoxydeca-4,6-diene is sourced from PubChem (CID 5364203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).