(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene

C11H18O2 — CID 143436311

IUPAC(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
SMILESC/C=C\C=C(/C=C(\CC)OC)OC
InChIInChI=1S/C11H18O2/c1-5-7-8-11(13-4)9-10(6-2)12-3/h5,7-9H,6H2,1-4H3/b7-5-,10-9+,11-8+
InChIKeySGXWYWXZKVDLGC-FRTBPSNISA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds5

About (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene

(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene (PubChem CID 143436311) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
PubChem CID143436311
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
SMILESC/C=C\C=C(/C=C(\CC)OC)OC
InChIInChI=1S/C11H18O2/c1-5-7-8-11(13-4)9-10(6-2)12-3/h5,7-9H,6H2,1-4H3/b7-5-,10-9+,11-8+
InChIKeySGXWYWXZKVDLGC-FRTBPSNISA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
CID 142272452
(3Z,5E)-4-bromo-6-methoxyocta-3,5-dien-3-ol
CID 166942881
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
CID 15475218
N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene
CID 142054922
(2E,4E)-5-methoxyhepta-2,4-diene-2-thiol
CID 143901449
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462641
ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462640
1-N'-[(3E)-4-methoxyhexa-1,3-dien-2-yl]ethane-1,1-diamine
CID 146336569

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene (CID 143436311) is (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene is C/C=C\C=C(/C=C(\CC)OC)OC.
What is the InChIKey of (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene?
The InChIKey is SGXWYWXZKVDLGC-FRTBPSNISA-N. The full InChI is InChI=1S/C11H18O2/c1-5-7-8-11(13-4)9-10(6-2)12-3/h5,7-9H,6H2,1-4H3/b7-5-,10-9+,11-8+.
What are the key properties of (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene?
(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene has a molecular weight of 182.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene is sourced from PubChem (CID 143436311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).