(Z)-4-ethyl-2-methyloct-2-enoic acid

C11H20O2 — CID 5354816

IUPAC(Z)-4-ethyl-2-methyloct-2-enoic acid
SMILESCCCCC(/C=C(/C)C(=O)O)CC
InChIInChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyIELNITCVUCUISP-HJWRWDBZSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds6

About (Z)-4-ethyl-2-methyloct-2-enoic acid

(Z)-4-ethyl-2-methyloct-2-enoic acid (PubChem CID 5354816) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-4-ethyl-2-methyloct-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-ethyl-2-methyloct-2-enoic acid
PubChem CID5354816
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-4-ethyl-2-methyloct-2-enoic acid
SMILESCCCCC(/C=C(/C)C(=O)O)CC
InChIInChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyIELNITCVUCUISP-HJWRWDBZSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
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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Related Compounds

(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
2-methyl-4-propyldec-2-enoic acid
CID 173472927
(2E,5E)-4-butyl-2,6-dimethylhepta-2,5-dienedioic acid
CID 87997943
1,1-dibromo-3-ethylhept-1-ene
CID 86711721
4-(ethenoxymethyl)-2-methylhex-2-enoic acid
CID 91368270
[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
CID 25208506
2-methyl-4-octyltridec-2-enamide
CID 173039880
(4S,6S)-2,4,6-trimethyltetracos-2-enoic acid
CID 91090487
ethane-1,2-diol;5-ethyl-2-methylnon-2-enoic acid
CID 173238030
6-amino-4-(aminomethyl)-2-methylhex-2-enoic acid
CID 174842658
13-formyl-2-methylhenicos-2-enoic acid
CID 123997925
2-ethylhexanal;phosphane
CID 174518467

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-2-methyloct-2-enoic acid?
The IUPAC name of (Z)-4-ethyl-2-methyloct-2-enoic acid (CID 5354816) is (Z)-4-ethyl-2-methyloct-2-enoic acid.
What is the SMILES notation for (Z)-4-ethyl-2-methyloct-2-enoic acid?
The canonical SMILES for (Z)-4-ethyl-2-methyloct-2-enoic acid is CCCCC(/C=C(/C)C(=O)O)CC.
What is the InChIKey of (Z)-4-ethyl-2-methyloct-2-enoic acid?
The InChIKey is IELNITCVUCUISP-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-4-ethyl-2-methyloct-2-enoic acid?
(Z)-4-ethyl-2-methyloct-2-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-2-methyloct-2-enoic acid is sourced from PubChem (CID 5354816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).