(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

(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
bis((E)-6-chloro-3-propan-2-ylhex-5-en-2-one);(E)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098059
(E,3S)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E,2R)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098058
3-[3-chloroprop-2-enyl(ethyl)amino]-2-methylpropanoic acid
CID 76950809
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoyl chloride
CID 91998874
(E)-20-hydroxy-2-methylicos-4-enoic acid
CID 18981421
but-1-ene;tris((2S)-2-methylhept-4-enoic acid);(2S)-2-methylpent-4-enoic acid
CID 158960658
6-(3-chloroprop-2-enylamino)-2-methylheptanoic acid
CID 77064604
prop-2-enyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate
CID 87471374
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
CID 62637426
(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
CID 57377208

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).