5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid

C12H18O2 — CID 163848454

IUPAC5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid
SMILESCC1C2CC1(C)C(C)C1CC21C(=O)O
InChIInChI=1S/C12H18O2/c1-6-8-4-11(6,3)7(2)9-5-12(8,9)10(13)14/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyOSFXAQZMHDVCSQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.39
Rot. Bonds1

About 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid

5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid (PubChem CID 163848454) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid.

Molecular Properties

Compound Name5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid
PubChem CID163848454
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid
SMILESCC1C2CC1(C)C(C)C1CC21C(=O)O
InChIInChI=1S/C12H18O2/c1-6-8-4-11(6,3)7(2)9-5-12(8,9)10(13)14/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyOSFXAQZMHDVCSQ-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

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CID 71193708
1,2,3,4-tetramethylcyclobutane-1,2-dicarboxylic acid
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1,2-dimethylcyclobutane-1,3-dicarboxylic acid
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4,5,8-trimethyladamantane-1,2-dicarboxylic acid
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1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
(1R,3S,5R,6S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undecane-3,6-dicarboxylic acid
CID 156580473
2,2,3-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 86169859
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
CID 826083

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid?
The IUPAC name of 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid (CID 163848454) is 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid.
What is the SMILES notation for 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid?
The canonical SMILES for 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid is CC1C2CC1(C)C(C)C1CC21C(=O)O.
What is the InChIKey of 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid?
The InChIKey is OSFXAQZMHDVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-6-8-4-11(6,3)7(2)9-5-12(8,9)10(13)14/h6-9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid?
5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid is sourced from PubChem (CID 163848454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).