(Z,2E)-2-ethylidenehept-5-enoic acid

C9H14O2 — CID 101190230

IUPAC(Z,2E)-2-ethylidenehept-5-enoic acid
SMILESC/C=C\CC/C(=C\C)C(=O)O
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8(4-2)9(10)11/h3-5H,6-7H2,1-2H3,(H,10,11)/b5-3-,8-4+
InChIKeyVSPNRJZQSLGMJH-VOGDQUTBSA-N
MW154.21 g/mol
LogP2.37
Rot. Bonds4

About (Z,2E)-2-ethylidenehept-5-enoic acid

(Z,2E)-2-ethylidenehept-5-enoic acid (PubChem CID 101190230) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z,2E)-2-ethylidenehept-5-enoic acid.

Molecular Properties

Compound Name(Z,2E)-2-ethylidenehept-5-enoic acid
PubChem CID101190230
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(Z,2E)-2-ethylidenehept-5-enoic acid
SMILESC/C=C\CC/C(=C\C)C(=O)O
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8(4-2)9(10)11/h3-5H,6-7H2,1-2H3,(H,10,11)/b5-3-,8-4+
InChIKeyVSPNRJZQSLGMJH-VOGDQUTBSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidenehept-5-enoic acid?
The IUPAC name of (Z,2E)-2-ethylidenehept-5-enoic acid (CID 101190230) is (Z,2E)-2-ethylidenehept-5-enoic acid.
What is the SMILES notation for (Z,2E)-2-ethylidenehept-5-enoic acid?
The canonical SMILES for (Z,2E)-2-ethylidenehept-5-enoic acid is C/C=C\CC/C(=C\C)C(=O)O.
What is the InChIKey of (Z,2E)-2-ethylidenehept-5-enoic acid?
The InChIKey is VSPNRJZQSLGMJH-VOGDQUTBSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-6-7-8(4-2)9(10)11/h3-5H,6-7H2,1-2H3,(H,10,11)/b5-3-,8-4+.
What are the key properties of (Z,2E)-2-ethylidenehept-5-enoic acid?
(Z,2E)-2-ethylidenehept-5-enoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidenehept-5-enoic acid is sourced from PubChem (CID 101190230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).