(E)-2-ethyl-6-methyloct-5-enoic acid

C11H20O2 — CID 170848753

IUPAC(E)-2-ethyl-6-methyloct-5-enoic acid
SMILESCC/C(C)=C/CCC(CC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/b9-7+
InChIKeyPMGBABJAZULYQK-VQHVLOKHSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds6

About (E)-2-ethyl-6-methyloct-5-enoic acid

(E)-2-ethyl-6-methyloct-5-enoic acid (PubChem CID 170848753) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-2-ethyl-6-methyloct-5-enoic acid.

Molecular Properties

Compound Name(E)-2-ethyl-6-methyloct-5-enoic acid
PubChem CID170848753
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-2-ethyl-6-methyloct-5-enoic acid
SMILESCC/C(C)=C/CCC(CC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/b9-7+
InChIKeyPMGBABJAZULYQK-VQHVLOKHSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-2-ethyl-6-methyloct-5-enoic acid?
The IUPAC name of (E)-2-ethyl-6-methyloct-5-enoic acid (CID 170848753) is (E)-2-ethyl-6-methyloct-5-enoic acid.
What is the SMILES notation for (E)-2-ethyl-6-methyloct-5-enoic acid?
The canonical SMILES for (E)-2-ethyl-6-methyloct-5-enoic acid is CC/C(C)=C/CCC(CC)C(=O)O.
What is the InChIKey of (E)-2-ethyl-6-methyloct-5-enoic acid?
The InChIKey is PMGBABJAZULYQK-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/b9-7+.
What are the key properties of (E)-2-ethyl-6-methyloct-5-enoic acid?
(E)-2-ethyl-6-methyloct-5-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-6-methyloct-5-enoic acid is sourced from PubChem (CID 170848753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).