3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid

C16H24O4 — CID 20622006

IUPAC3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
SMILESCCCC1CC(C)C2C3CC(C(C(=O)O)C3C(=O)O)C12
InChIInChI=1S/C16H24O4/c1-3-4-8-5-7(2)11-9-6-10(12(8)11)14(16(19)20)13(9)15(17)18/h7-14H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFFKDKRHMOOETRU-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.73
Rot. Bonds4

About 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid

3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid (PubChem CID 20622006) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid.

Molecular Properties

Compound Name3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
PubChem CID20622006
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
SMILESCCCC1CC(C)C2C3CC(C(C(=O)O)C3C(=O)O)C12
InChIInChI=1S/C16H24O4/c1-3-4-8-5-7(2)11-9-6-10(12(8)11)14(16(19)20)13(9)15(17)18/h7-14H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFFKDKRHMOOETRU-UHFFFAOYSA-N
XLogP2.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 160560583
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 21351604
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane
CID 159252719
methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate;9-methyl-11-propyl-4-oxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5-dione
CID 159286573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid?
The IUPAC name of 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid (CID 20622006) is 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid.
What is the SMILES notation for 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid?
The canonical SMILES for 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid is CCCC1CC(C)C2C3CC(C(C(=O)O)C3C(=O)O)C12.
What is the InChIKey of 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid?
The InChIKey is FFKDKRHMOOETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-4-8-5-7(2)11-9-6-10(12(8)11)14(16(19)20)13(9)15(17)18/h7-14H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid?
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid has a molecular weight of 280.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid is sourced from PubChem (CID 20622006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).