(6E)-5-methoxy-2,6-dimethylnona-1,6-diene

C12H22O — CID 18640588

IUPAC(6E)-5-methoxy-2,6-dimethylnona-1,6-diene
SMILESC=C(C)CCC(OC)/C(C)=C/CC
InChIInChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3/b11-7+
InChIKeyYLWALOXNLSDOGZ-YRNVUSSQSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds6

About (6E)-5-methoxy-2,6-dimethylnona-1,6-diene

(6E)-5-methoxy-2,6-dimethylnona-1,6-diene (PubChem CID 18640588) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6E)-5-methoxy-2,6-dimethylnona-1,6-diene.

Molecular Properties

Compound Name(6E)-5-methoxy-2,6-dimethylnona-1,6-diene
PubChem CID18640588
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6E)-5-methoxy-2,6-dimethylnona-1,6-diene
SMILESC=C(C)CCC(OC)/C(C)=C/CC
InChIInChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3/b11-7+
InChIKeyYLWALOXNLSDOGZ-YRNVUSSQSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-methoxy-2,6-dimethylnona-1,6-diene?
The IUPAC name of (6E)-5-methoxy-2,6-dimethylnona-1,6-diene (CID 18640588) is (6E)-5-methoxy-2,6-dimethylnona-1,6-diene.
What is the SMILES notation for (6E)-5-methoxy-2,6-dimethylnona-1,6-diene?
The canonical SMILES for (6E)-5-methoxy-2,6-dimethylnona-1,6-diene is C=C(C)CCC(OC)/C(C)=C/CC.
What is the InChIKey of (6E)-5-methoxy-2,6-dimethylnona-1,6-diene?
The InChIKey is YLWALOXNLSDOGZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3/b11-7+.
What are the key properties of (6E)-5-methoxy-2,6-dimethylnona-1,6-diene?
(6E)-5-methoxy-2,6-dimethylnona-1,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-methoxy-2,6-dimethylnona-1,6-diene is sourced from PubChem (CID 18640588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).