5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid

C9H15ClO2 — CID 106439379

IUPAC5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid
SMILESCCC(C)(CC(C)=CCl)C(=O)O
InChIInChI=1S/C9H15ClO2/c1-4-9(3,8(11)12)5-7(2)6-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOSPSUGRVJCQPX-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.02
Rot. Bonds4

About 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid

5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid (PubChem CID 106439379) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid
PubChem CID106439379
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid
SMILESCCC(C)(CC(C)=CCl)C(=O)O
InChIInChI=1S/C9H15ClO2/c1-4-9(3,8(11)12)5-7(2)6-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOSPSUGRVJCQPX-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-carbamoyl-5-chloro-2,4-dimethylpent-4-enoic acid
CID 106440927
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
CID 106439411
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
CID 146213852
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid
CID 143769852
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecamethyltritriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecacarboxylic acid
CID 159235400
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid?
The IUPAC name of 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid (CID 106439379) is 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid.
What is the SMILES notation for 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid?
The canonical SMILES for 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid is CCC(C)(CC(C)=CCl)C(=O)O.
What is the InChIKey of 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid?
The InChIKey is DOSPSUGRVJCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-4-9(3,8(11)12)5-7(2)6-10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid?
5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid has a molecular weight of 190.67 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid is sourced from PubChem (CID 106439379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).