2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

C12H19ClO2 — CID 22159025

IUPAC2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(C)C(C(Cl)C(=O)O)C2
InChIInChI=1S/C12H19ClO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIAKACHGLVKTDBO-UHFFFAOYSA-N
MW230.73 g/mol
LogP3.14
Rot. Bonds2

About 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 22159025) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID22159025
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Name2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(C)C(C(Cl)C(=O)O)C2
InChIInChI=1S/C12H19ClO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIAKACHGLVKTDBO-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (CID 22159025) is 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is CC1(C)C2CCC1(C)C(C(Cl)C(=O)O)C2.
What is the InChIKey of 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is IAKACHGLVKTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2/c1-11(2)7-4-5-12(11,3)8(6-7)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 230.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 22159025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).