(E)-2,4-dimethyloct-2-enoic acid

C10H18O2 — CID 20842160

IUPAC(E)-2,4-dimethyloct-2-enoic acid
SMILESCCCCC(C)/C=C(\C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-6-8(2)7-9(3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+
InChIKeyQLGVEVWRAQDYRR-VQHVLOKHSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About (E)-2,4-dimethyloct-2-enoic acid

(E)-2,4-dimethyloct-2-enoic acid (PubChem CID 20842160) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-2,4-dimethyloct-2-enoic acid.

Molecular Properties

Compound Name(E)-2,4-dimethyloct-2-enoic acid
PubChem CID20842160
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-2,4-dimethyloct-2-enoic acid
SMILESCCCCC(C)/C=C(\C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-6-8(2)7-9(3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+
InChIKeyQLGVEVWRAQDYRR-VQHVLOKHSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,4-dimethyloct-2-enoic acid?
The IUPAC name of (E)-2,4-dimethyloct-2-enoic acid (CID 20842160) is (E)-2,4-dimethyloct-2-enoic acid.
What is the SMILES notation for (E)-2,4-dimethyloct-2-enoic acid?
The canonical SMILES for (E)-2,4-dimethyloct-2-enoic acid is CCCCC(C)/C=C(\C)C(=O)O.
What is the InChIKey of (E)-2,4-dimethyloct-2-enoic acid?
The InChIKey is QLGVEVWRAQDYRR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-8(2)7-9(3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+.
What are the key properties of (E)-2,4-dimethyloct-2-enoic acid?
(E)-2,4-dimethyloct-2-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)-2,4-dimethyloct-2-enoic acid is sourced from PubChem (CID 20842160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).