2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid

C10H14O2 — CID 5321816

IUPAC2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid
SMILESCC1(C(=O)O)C2CC3C(C2)C31C
InChIInChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyQHDPITNBVDSMQH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds1

About 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid

2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid (PubChem CID 5321816) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid
PubChem CID5321816
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid
SMILESCC1(C(=O)O)C2CC3C(C2)C31C
InChIInChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyQHDPITNBVDSMQH-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The IUPAC name of 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid (CID 5321816) is 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid.
What is the SMILES notation for 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The canonical SMILES for 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid is CC1(C(=O)O)C2CC3C(C2)C31C.
What is the InChIKey of 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The InChIKey is QHDPITNBVDSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid is sourced from PubChem (CID 5321816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).