2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid

C12H18O2 — CID 167169071

IUPAC2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid
SMILESCC1C2CCC3C(CC(=O)O)C(C2)C13
InChIInChI=1S/C12H18O2/c1-6-7-2-3-8-9(5-11(13)14)10(4-7)12(6)8/h6-10,12H,2-5H2,1H3,(H,13,14)
InChIKeyAIHYSBUQSSPNEF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.39
Rot. Bonds2

About 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid

2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid (PubChem CID 167169071) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid
PubChem CID167169071
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid
SMILESCC1C2CCC3C(CC(=O)O)C(C2)C13
InChIInChI=1S/C12H18O2/c1-6-7-2-3-8-9(5-11(13)14)10(4-7)12(6)8/h6-10,12H,2-5H2,1H3,(H,13,14)
InChIKeyAIHYSBUQSSPNEF-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid?
The IUPAC name of 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid (CID 167169071) is 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid.
What is the SMILES notation for 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid?
The canonical SMILES for 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid is CC1C2CCC3C(CC(=O)O)C(C2)C13.
What is the InChIKey of 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid?
The InChIKey is AIHYSBUQSSPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-6-7-2-3-8-9(5-11(13)14)10(4-7)12(6)8/h6-10,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid?
2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid has a molecular weight of 194.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-tricyclo[4.2.1.03,8]nonanyl)acetic acid is sourced from PubChem (CID 167169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).