(E)-2-methylnon-7-enoic acid

C10H18O2 — CID 146276957

IUPAC(E)-2-methylnon-7-enoic acid
SMILESC/C=C/CCCCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3-4,9H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyUTKMNCZSIKIESL-ONEGZZNKSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About (E)-2-methylnon-7-enoic acid

(E)-2-methylnon-7-enoic acid (PubChem CID 146276957) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-2-methylnon-7-enoic acid.

Molecular Properties

Compound Name(E)-2-methylnon-7-enoic acid
PubChem CID146276957
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-2-methylnon-7-enoic acid
SMILESC/C=C/CCCCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3-4,9H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyUTKMNCZSIKIESL-ONEGZZNKSA-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

(E,2R)-2-methylhept-5-enoic acid
CID 100977914
2-methylnon-7-enamide
CID 142782091
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
2-ethylnon-7-enoic acid
CID 143730555
(8E,10E,12Z)-2-methyloctadeca-8,10,12-trienoic acid
CID 87447749
20-methylhenicosa-2,4-dienedioic acid
CID 118414903
(2R)-2-methylnon-8-enoic acid
CID 129385535
(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid
CID 59229287
3-carboxybutyl-[(E)-2-hydroxyoct-6-enyl]-dimethylazanium
CID 101276529
8-bromo-2-methyloct-6-enoic acid
CID 173420068
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909
(E)-non-7-en-2-ol
CID 14615052

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylnon-7-enoic acid?
The IUPAC name of (E)-2-methylnon-7-enoic acid (CID 146276957) is (E)-2-methylnon-7-enoic acid.
What is the SMILES notation for (E)-2-methylnon-7-enoic acid?
The canonical SMILES for (E)-2-methylnon-7-enoic acid is C/C=C/CCCCC(C)C(=O)O.
What is the InChIKey of (E)-2-methylnon-7-enoic acid?
The InChIKey is UTKMNCZSIKIESL-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3-4,9H,5-8H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of (E)-2-methylnon-7-enoic acid?
(E)-2-methylnon-7-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)-2-methylnon-7-enoic acid is sourced from PubChem (CID 146276957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).