(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene

C9H16O2 — CID 143599769

IUPAC(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
SMILESCOC/C=C\C/C=C\COC
InChIInChI=1S/C9H16O2/c1-10-8-6-4-3-5-7-9-11-2/h4-7H,3,8-9H2,1-2H3/b6-4-,7-5-
InChIKeyAOXCAXHZSZCZTO-PEPZGXQESA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds6

About (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene

(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene (PubChem CID 143599769) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
PubChem CID143599769
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
SMILESCOC/C=C\C/C=C\COC
InChIInChI=1S/C9H16O2/c1-10-8-6-4-3-5-7-9-11-2/h4-7H,3,8-9H2,1-2H3/b6-4-,7-5-
InChIKeyAOXCAXHZSZCZTO-PEPZGXQESA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene?
The IUPAC name of (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene (CID 143599769) is (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene?
The canonical SMILES for (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene is COC/C=C\C/C=C\COC.
What is the InChIKey of (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene?
The InChIKey is AOXCAXHZSZCZTO-PEPZGXQESA-N. The full InChI is InChI=1S/C9H16O2/c1-10-8-6-4-3-5-7-9-11-2/h4-7H,3,8-9H2,1-2H3/b6-4-,7-5-.
What are the key properties of (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene?
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene has a molecular weight of 156.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-1,7-dimethoxyhepta-2,5-diene is sourced from PubChem (CID 143599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).