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

C9H16O2 — CID 5282652

IUPAC(E)-6-methyloct-5-enoic acid
SMILESCC/C(C)=C/CCCC(=O)O
InChIInChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
InChIKeyGZECLTXOPLOEJY-SOFGYWHQSA-N
MW156.22 g/mol
LogP2.60
Rot. Bonds5

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

(E)-6-methyloct-5-enoic acid (PubChem CID 5282652) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-6-methyloct-5-enoic acid.

Molecular Properties

Compound Name(E)-6-methyloct-5-enoic acid
PubChem CID5282652
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-6-methyloct-5-enoic acid
SMILESCC/C(C)=C/CCCC(=O)O
InChIInChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
InChIKeyGZECLTXOPLOEJY-SOFGYWHQSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methyloct-5-enoic acid?
The IUPAC name of (E)-6-methyloct-5-enoic acid (CID 5282652) is (E)-6-methyloct-5-enoic acid.
What is the SMILES notation for (E)-6-methyloct-5-enoic acid?
The canonical SMILES for (E)-6-methyloct-5-enoic acid is CC/C(C)=C/CCCC(=O)O.
What is the InChIKey of (E)-6-methyloct-5-enoic acid?
The InChIKey is GZECLTXOPLOEJY-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+.
What are the key properties of (E)-6-methyloct-5-enoic acid?
(E)-6-methyloct-5-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyloct-5-enoic acid is sourced from PubChem (CID 5282652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).