AEKZTVSCWKESCZ-FZWLCVONSA-N

C₈H₁₂O₂ — CID 6393835

About AEKZTVSCWKESCZ-FZWLCVONSA-N

AEKZTVSCWKESCZ-FZWLCVONSA-N (PubChem CID 6393835) has the molecular formula C₈H₁₂O₂ and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl (2E,5E)-hepta-2,5-dienoate.

Molecular Properties

• Compound Name: AEKZTVSCWKESCZ-FZWLCVONSA-N
• PubChem CID: 6393835
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18 g/mol
• Exact Mass: 140.08
• IUPAC Name: methyl (2E,5E)-hepta-2,5-dienoate
• SMILES: C/C=C/C/C=C/C(=O)OC
• InChI: InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+
• InChIKey: AEKZTVSCWKESCZ-FZWLCVONSA-N
• XLogP: 1.68
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.18
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of AEKZTVSCWKESCZ-FZWLCVONSA-N?

The IUPAC name of AEKZTVSCWKESCZ-FZWLCVONSA-N (CID 6393835) is methyl (2E,5E)-hepta-2,5-dienoate.

What is the SMILES notation for AEKZTVSCWKESCZ-FZWLCVONSA-N?

The canonical SMILES for AEKZTVSCWKESCZ-FZWLCVONSA-N is C/C=C/C/C=C/C(=O)OC.

What is the InChIKey of AEKZTVSCWKESCZ-FZWLCVONSA-N?

The InChIKey is AEKZTVSCWKESCZ-FZWLCVONSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+.

What are the key properties of AEKZTVSCWKESCZ-FZWLCVONSA-N?

AEKZTVSCWKESCZ-FZWLCVONSA-N has a molecular weight of 140.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for AEKZTVSCWKESCZ-FZWLCVONSA-N is sourced from PubChem (CID 6393835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6393835 — identifiers, structure, computed properties (public domain)

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