(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene

C9H14O2 — CID 143288252

IUPAC(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene
SMILESC/C=C\C=C/C(=C/OC)OC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-9(11-3)8-10-2/h4-8H,1-3H3/b5-4-,7-6-,9-8-
InChIKeyJHOFGJCNDQELAZ-GTTXRYGYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds4

About (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene

(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene (PubChem CID 143288252) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene
PubChem CID143288252
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene
SMILESC/C=C\C=C/C(=C/OC)OC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-9(11-3)8-10-2/h4-8H,1-3H3/b5-4-,7-6-,9-8-
InChIKeyJHOFGJCNDQELAZ-GTTXRYGYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene (CID 143288252) is (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene is C/C=C\C=C/C(=C/OC)OC.
What is the InChIKey of (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene?
The InChIKey is JHOFGJCNDQELAZ-GTTXRYGYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-6-7-9(11-3)8-10-2/h4-8H,1-3H3/b5-4-,7-6-,9-8-.
What are the key properties of (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene?
(1Z,3Z,5Z)-1,2-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 (1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene is sourced from PubChem (CID 143288252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).