3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid

C12H18O2 — CID 18593579

IUPAC3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid
SMILESCC12CC3CC(C(=O)O)(C1)CC2(C)C3
InChIInChI=1S/C12H18O2/c1-10-3-8-4-11(10,2)7-12(5-8,6-10)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyUXJDEUXRGGPMGV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds1

About 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid

3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid (PubChem CID 18593579) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid.

Molecular Properties

Compound Name3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid
PubChem CID18593579
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid
SMILESCC12CC3CC(C(=O)O)(C1)CC2(C)C3
InChIInChI=1S/C12H18O2/c1-10-3-8-4-11(10,2)7-12(5-8,6-10)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyUXJDEUXRGGPMGV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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adamantane-1-carboxylic acid;hydrobromide
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adamantane-1-carboxylic acid;cobalt
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(5R,7R)-3-acetyladamantane-1-carboxylic acid
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(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
3,5-dimethyladamantane-1-carboxylic acid;3-ethyladamantane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid?
The IUPAC name of 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid (CID 18593579) is 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid.
What is the SMILES notation for 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid?
The canonical SMILES for 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid is CC12CC3CC(C(=O)O)(C1)CC2(C)C3.
What is the InChIKey of 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid?
The InChIKey is UXJDEUXRGGPMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10-3-8-4-11(10,2)7-12(5-8,6-10)9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid?
3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid is sourced from PubChem (CID 18593579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).