(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene

C9H14O2 — CID 89381368

IUPAC(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
SMILESC=C/C=C\C(OC)=C(/C)OC
InChIInChI=1S/C9H14O2/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1H2,2-4H3/b7-6-,9-8-
InChIKeyKNGZNJGJMUBYLE-JPDBVBESSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds4

About (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene

(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene (PubChem CID 89381368) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
PubChem CID89381368
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
SMILESC=C/C=C\C(OC)=C(/C)OC
InChIInChI=1S/C9H14O2/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1H2,2-4H3/b7-6-,9-8-
InChIKeyKNGZNJGJMUBYLE-JPDBVBESSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
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'}

Analyze (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide
CID 144546397
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
6-methoxyhepta-1,3,5-triene
CID 90882924
[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane
CID 142531243
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
CID 130419647

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene (CID 89381368) is (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene is C=C/C=C\C(OC)=C(/C)OC.
What is the InChIKey of (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene?
The InChIKey is KNGZNJGJMUBYLE-JPDBVBESSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1H2,2-4H3/b7-6-,9-8-.
What are the key properties of (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene?
(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene has a molecular weight of 154.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene is sourced from PubChem (CID 89381368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).