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

C10H15ClO2 — CID 106439411

IUPAC5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
SMILESCC(=CCl)CC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H15ClO2/c1-7(6-11)5-10(2,9(12)13)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyMUHYDTAYGFFDTO-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.02
Rot. Bonds4

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

5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid (PubChem CID 106439411) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
PubChem CID106439411
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
SMILESCC(=CCl)CC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H15ClO2/c1-7(6-11)5-10(2,9(12)13)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyMUHYDTAYGFFDTO-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid (CID 106439411) is 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid is CC(=CCl)CC(C)(C(=O)O)C1CC1.
What is the InChIKey of 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid?
The InChIKey is MUHYDTAYGFFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-7(6-11)5-10(2,9(12)13)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid?
5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid has a molecular weight of 202.68 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-cyclopropyl-2,4-dimethylpent-4-enoic acid is sourced from PubChem (CID 106439411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).