2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

C11H18O2 — CID 14779193

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC(C2)C1CC(=O)O
InChIInChI=1S/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyQJZWXXJNTXTQNZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds2

About 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 14779193) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID14779193
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC(C2)C1CC(=O)O
InChIInChI=1S/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyQJZWXXJNTXTQNZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (CID 14779193) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is CC1(C)C2CCC(C2)C1CC(=O)O.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is QJZWXXJNTXTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 182.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 14779193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).