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

C7H11ClO2 — CID 19752390

IUPAC4-chloro-2,2-dimethylpent-4-enoic acid
SMILESC=C(Cl)CC(C)(C)C(=O)O
InChIInChI=1S/C7H11ClO2/c1-5(8)4-7(2,3)6(9)10/h1,4H2,2-3H3,(H,9,10)
InChIKeyCKANXWYYKXDPIW-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.24
Rot. Bonds3

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

4-chloro-2,2-dimethylpent-4-enoic acid (PubChem CID 19752390) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is 4-chloro-2,2-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name4-chloro-2,2-dimethylpent-4-enoic acid
PubChem CID19752390
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name4-chloro-2,2-dimethylpent-4-enoic acid
SMILESC=C(Cl)CC(C)(C)C(=O)O
InChIInChI=1S/C7H11ClO2/c1-5(8)4-7(2,3)6(9)10/h1,4H2,2-3H3,(H,9,10)
InChIKeyCKANXWYYKXDPIW-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-dimethylpent-4-enoic acid?
The IUPAC name of 4-chloro-2,2-dimethylpent-4-enoic acid (CID 19752390) is 4-chloro-2,2-dimethylpent-4-enoic acid.
What is the SMILES notation for 4-chloro-2,2-dimethylpent-4-enoic acid?
The canonical SMILES for 4-chloro-2,2-dimethylpent-4-enoic acid is C=C(Cl)CC(C)(C)C(=O)O.
What is the InChIKey of 4-chloro-2,2-dimethylpent-4-enoic acid?
The InChIKey is CKANXWYYKXDPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-5(8)4-7(2,3)6(9)10/h1,4H2,2-3H3,(H,9,10).
What are the key properties of 4-chloro-2,2-dimethylpent-4-enoic acid?
4-chloro-2,2-dimethylpent-4-enoic acid has a molecular weight of 162.62 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-dimethylpent-4-enoic acid is sourced from PubChem (CID 19752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).