(E)-8-methylnon-6-enoic acid

C10H18O2 — CID 5365959

IUPAC(E)-8-methylnon-6-enoic acid
SMILESCC(C)/C=C/CCCCC(=O)O
InChIInChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
InChIKeyOCALSPDXYQHUHA-FNORWQNLSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About (E)-8-methylnon-6-enoic acid

(E)-8-methylnon-6-enoic acid (PubChem CID 5365959) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-8-methylnon-6-enoic acid.

Molecular Properties

Compound Name(E)-8-methylnon-6-enoic acid
PubChem CID5365959
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-8-methylnon-6-enoic acid
SMILESCC(C)/C=C/CCCCC(=O)O
InChIInChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
InChIKeyOCALSPDXYQHUHA-FNORWQNLSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
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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Related Compounds

Linolenic Acid
CID 5280934
Arachidonic Acid
CID 444899
Palmitoleic Acid
CID 445638
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Docosapentaenoic Acid
CID 5497182
Citronellic acid
CID 10402
Myristoleic Acid
CID 5281119
cis-7-Hexadecenoic acid
CID 5318393
Stearidonic Acid
CID 5312508
Palmitelaidic acid
CID 5282745
Eicosapentaenoic Acid
CID 5282847

Frequently Asked Questions

What is the IUPAC name of (E)-8-methylnon-6-enoic acid?
The IUPAC name of (E)-8-methylnon-6-enoic acid (CID 5365959) is (E)-8-methylnon-6-enoic acid.
What is the SMILES notation for (E)-8-methylnon-6-enoic acid?
The canonical SMILES for (E)-8-methylnon-6-enoic acid is CC(C)/C=C/CCCCC(=O)O.
What is the InChIKey of (E)-8-methylnon-6-enoic acid?
The InChIKey is OCALSPDXYQHUHA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+.
What are the key properties of (E)-8-methylnon-6-enoic acid?
(E)-8-methylnon-6-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methylnon-6-enoic acid is sourced from PubChem (CID 5365959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).