(E,2R)-2-ethylhex-4-enoic acid

C8H14O2 — CID 11579146

IUPAC(E,2R)-2-ethylhex-4-enoic acid
SMILESC/C=C/C[C@@H](CC)C(=O)O
InChIInChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+/t7-/m1/s1
InChIKeyDVGJCXKMICUSPU-OHCKJTPYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds4

About (E,2R)-2-ethylhex-4-enoic acid

(E,2R)-2-ethylhex-4-enoic acid (PubChem CID 11579146) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E,2R)-2-ethylhex-4-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-ethylhex-4-enoic acid
PubChem CID11579146
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E,2R)-2-ethylhex-4-enoic acid
SMILESC/C=C/C[C@@H](CC)C(=O)O
InChIInChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+/t7-/m1/s1
InChIKeyDVGJCXKMICUSPU-OHCKJTPYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
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

2-ethyldeca-4,6,8-trienoic acid
CID 175025766
(Z)-2-propylhex-4-enoic acid
CID 59965143
2-ethylnon-7-enoic acid
CID 143730555
tert-butyl 2-ethylhex-4-enoate
CID 141287366
CID 87086045
CID 87086045
CID 123134376
CID 123134376
ethane;2-ethylbutanoic acid
CID 142229949
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
2-bromohex-4-enoic acid
CID 57026294
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2,7-diethyl-4-methyloct-4-enedioic acid
CID 71364358
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-ethylhex-4-enoic acid?
The IUPAC name of (E,2R)-2-ethylhex-4-enoic acid (CID 11579146) is (E,2R)-2-ethylhex-4-enoic acid.
What is the SMILES notation for (E,2R)-2-ethylhex-4-enoic acid?
The canonical SMILES for (E,2R)-2-ethylhex-4-enoic acid is C/C=C/C[C@@H](CC)C(=O)O.
What is the InChIKey of (E,2R)-2-ethylhex-4-enoic acid?
The InChIKey is DVGJCXKMICUSPU-OHCKJTPYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+/t7-/m1/s1.
What are the key properties of (E,2R)-2-ethylhex-4-enoic acid?
(E,2R)-2-ethylhex-4-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-ethylhex-4-enoic acid is sourced from PubChem (CID 11579146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).