(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene

C12H22O — CID 89366865

IUPAC(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene
SMILESCOC(C)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4)13-5/h7,9,12H,6,8H2,1-5H3/b11-9-
InChIKeyVMXVRNJXIDFSKF-LUAWRHEFSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds5

About (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene

(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene (PubChem CID 89366865) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene
PubChem CID89366865
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene
SMILESCOC(C)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4)13-5/h7,9,12H,6,8H2,1-5H3/b11-9-
InChIKeyVMXVRNJXIDFSKF-LUAWRHEFSA-N
XLogP3.71
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 ≤ 53.71
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 (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene (CID 89366865) is (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene is COC(C)/C=C(/C)CCC=C(C)C.
What is the InChIKey of (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene?
The InChIKey is VMXVRNJXIDFSKF-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4)13-5/h7,9,12H,6,8H2,1-5H3/b11-9-.
What are the key properties of (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene?
(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methoxy-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 89366865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).