(3Z,5E)-5-methoxyhepta-3,5-dienal

C8H12O2 — CID 89129591

IUPAC(3Z,5E)-5-methoxyhepta-3,5-dienal
SMILESC/C=C(\C=C/CC=O)OC
InChIInChI=1S/C8H12O2/c1-3-8(10-2)6-4-5-7-9/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+
InChIKeyYNCOOVYQDJQONV-MROOEUIUSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds4

About (3Z,5E)-5-methoxyhepta-3,5-dienal

(3Z,5E)-5-methoxyhepta-3,5-dienal (PubChem CID 89129591) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3Z,5E)-5-methoxyhepta-3,5-dienal.

Molecular Properties

Compound Name(3Z,5E)-5-methoxyhepta-3,5-dienal
PubChem CID89129591
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3Z,5E)-5-methoxyhepta-3,5-dienal
SMILESC/C=C(\C=C/CC=O)OC
InChIInChI=1S/C8H12O2/c1-3-8(10-2)6-4-5-7-9/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+
InChIKeyYNCOOVYQDJQONV-MROOEUIUSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxyhepta-3,5-dienal?
The IUPAC name of (3Z,5E)-5-methoxyhepta-3,5-dienal (CID 89129591) is (3Z,5E)-5-methoxyhepta-3,5-dienal.
What is the SMILES notation for (3Z,5E)-5-methoxyhepta-3,5-dienal?
The canonical SMILES for (3Z,5E)-5-methoxyhepta-3,5-dienal is C/C=C(\C=C/CC=O)OC.
What is the InChIKey of (3Z,5E)-5-methoxyhepta-3,5-dienal?
The InChIKey is YNCOOVYQDJQONV-MROOEUIUSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(10-2)6-4-5-7-9/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+.
What are the key properties of (3Z,5E)-5-methoxyhepta-3,5-dienal?
(3Z,5E)-5-methoxyhepta-3,5-dienal has a molecular weight of 140.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxyhepta-3,5-dienal is sourced from PubChem (CID 89129591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).