(E)-5-chloro-2-methylpent-4-enoic acid

C6H9ClO2 — CID 107900872

IUPAC(E)-5-chloro-2-methylpent-4-enoic acid
SMILESCC(C/C=C/Cl)C(=O)O
InChIInChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h2,4-5H,3H2,1H3,(H,8,9)/b4-2+
InChIKeyMVOYIHDZDAACGZ-DUXPYHPUSA-N
MW148.59 g/mol
LogP1.85
Rot. Bonds3

About (E)-5-chloro-2-methylpent-4-enoic acid

(E)-5-chloro-2-methylpent-4-enoic acid (PubChem CID 107900872) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is (E)-5-chloro-2-methylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-chloro-2-methylpent-4-enoic acid
PubChem CID107900872
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name(E)-5-chloro-2-methylpent-4-enoic acid
SMILESCC(C/C=C/Cl)C(=O)O
InChIInChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h2,4-5H,3H2,1H3,(H,8,9)/b4-2+
InChIKeyMVOYIHDZDAACGZ-DUXPYHPUSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-4-pentenoic acid
CID 549519
3-Methyl-4-pentenoic acid
CID 3456032
(2R)-2-Methylpent-4-enoic acid
CID 7167861
2-Ethylbut-3-enoic acid
CID 18793227
2,3-Dimethylpent-4-enoic acid
CID 544071
(S)-2-Methyl-4-pentenoic acid
CID 7019646
(3R)-3-Methylpent-4-enoic acid
CID 12366540
(2R,3S)-2,3-dimethylpent-4-enoic acid
CID 12572000
(2S,3S)-2,3-dimethylpent-4-enoic acid
CID 10997055
(2S,3R)-2,3-dimethylpent-4-enoic acid
CID 12572001
(2R,3R)-2,3-dimethylpent-4-enoic acid
CID 12572002
(3S)-3-methylpent-4-enoic acid
CID 10964448

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2-methylpent-4-enoic acid?
The IUPAC name of (E)-5-chloro-2-methylpent-4-enoic acid (CID 107900872) is (E)-5-chloro-2-methylpent-4-enoic acid.
What is the SMILES notation for (E)-5-chloro-2-methylpent-4-enoic acid?
The canonical SMILES for (E)-5-chloro-2-methylpent-4-enoic acid is CC(C/C=C/Cl)C(=O)O.
What is the InChIKey of (E)-5-chloro-2-methylpent-4-enoic acid?
The InChIKey is MVOYIHDZDAACGZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h2,4-5H,3H2,1H3,(H,8,9)/b4-2+.
What are the key properties of (E)-5-chloro-2-methylpent-4-enoic acid?
(E)-5-chloro-2-methylpent-4-enoic acid has a molecular weight of 148.59 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2-methylpent-4-enoic acid is sourced from PubChem (CID 107900872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).