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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Related Compounds

2-[(1R,3R,5R,7S)-6-(carboxymethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetic acid
CID 98164914
2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115016227
(1R,4S)-3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18634641
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115020768
2-[2-(2-methylprop-2-enoxy)-7-bicyclo[2.2.1]heptanyl]acetic acid
CID 129313355
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
2-[2,3,4-tris(carboxymethyl)cyclobutyl]acetic acid
CID 13046627

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).