(E)-3,5-dimethyloct-4-enoic acid

C10H18O2 — CID 155169082

IUPAC(E)-3,5-dimethyloct-4-enoic acid
SMILESCCC/C(C)=C/C(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-9(3)7-10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)/b8-6+
InChIKeyMCANUJKLZOJSLK-SOFGYWHQSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About (E)-3,5-dimethyloct-4-enoic acid

(E)-3,5-dimethyloct-4-enoic acid (PubChem CID 155169082) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-3,5-dimethyloct-4-enoic acid.

Molecular Properties

Compound Name(E)-3,5-dimethyloct-4-enoic acid
PubChem CID155169082
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-3,5-dimethyloct-4-enoic acid
SMILESCCC/C(C)=C/C(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-9(3)7-10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)/b8-6+
InChIKeyMCANUJKLZOJSLK-SOFGYWHQSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4E,7Z,9R)-3,5,7,9-tetramethylhexadeca-4,7-dienoic acid
CID 177133542
1-fluoro-2,4-dimethylhept-3-ene
CID 155390379
(7S,8E,11Z,13S)-7,9,11,13-tetramethyloctadeca-8,11-dienoic acid
CID 176732810
butanoic acid;3-hydroxybutanoic acid
CID 131984541
3-methyl-4-oxoheptanoic acid
CID 19914762
(5R,6E,9Z,11R)-5,7,9,11-tetramethyloctadeca-6,9-dienoic acid
CID 176732801
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
(9R,10E,13Z)-9,11,13-trimethyloctadeca-10,13-dienoic acid
CID 176732811
acetic acid;butanoic acid
CID 87533224
acetic acid;butanoic acid
CID 158263120
3-methyldec-4-enoic acid
CID 579940
acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid
CID 172836544

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dimethyloct-4-enoic acid?
The IUPAC name of (E)-3,5-dimethyloct-4-enoic acid (CID 155169082) is (E)-3,5-dimethyloct-4-enoic acid.
What is the SMILES notation for (E)-3,5-dimethyloct-4-enoic acid?
The canonical SMILES for (E)-3,5-dimethyloct-4-enoic acid is CCC/C(C)=C/C(C)CC(=O)O.
What is the InChIKey of (E)-3,5-dimethyloct-4-enoic acid?
The InChIKey is MCANUJKLZOJSLK-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-8(2)6-9(3)7-10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)/b8-6+.
What are the key properties of (E)-3,5-dimethyloct-4-enoic acid?
(E)-3,5-dimethyloct-4-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethyloct-4-enoic acid is sourced from PubChem (CID 155169082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).