(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene

C12H22O — CID 10559356

IUPAC(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene
SMILESC/C=C/C=C/C(C)C(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-7-8-9-11(4)12(13-5)10(2)3/h6-12H,1-5H3/b7-6+,9-8+
InChIKeyAIMZZBCBHUSMML-BLHCBFLLSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds5

About (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene

(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene (PubChem CID 10559356) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene
PubChem CID10559356
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene
SMILESC/C=C/C=C/C(C)C(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-7-8-9-11(4)12(13-5)10(2)3/h6-12H,1-5H3/b7-6+,9-8+
InChIKeyAIMZZBCBHUSMML-BLHCBFLLSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene?
The IUPAC name of (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene (CID 10559356) is (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene.
What is the SMILES notation for (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene?
The canonical SMILES for (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene is C/C=C/C=C/C(C)C(OC)C(C)C.
What is the InChIKey of (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene?
The InChIKey is AIMZZBCBHUSMML-BLHCBFLLSA-N. The full InChI is InChI=1S/C12H22O/c1-6-7-8-9-11(4)12(13-5)10(2)3/h6-12H,1-5H3/b7-6+,9-8+.
What are the key properties of (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene?
(2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene has a molecular weight of 182.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-methoxy-6,8-dimethylnona-2,4-diene is sourced from PubChem (CID 10559356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).