1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid

C15H22O2 — CID 148847183

IUPAC1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
SMILESCC(C)C1CCC2(C)C3CC=C(C(=O)O)C2C13
InChIInChI=1S/C15H22O2/c1-8(2)9-6-7-15(3)11-5-4-10(14(16)17)13(15)12(9)11/h4,8-9,11-13H,5-7H2,1-3H3,(H,16,17)
InChIKeyOWRXXWMFSVYUSF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.34
Rot. Bonds2

About 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid

1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid (PubChem CID 148847183) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
PubChem CID148847183
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
SMILESCC(C)C1CCC2(C)C3CC=C(C(=O)O)C2C13
InChIInChI=1S/C15H22O2/c1-8(2)9-6-7-15(3)11-5-4-10(14(16)17)13(15)12(9)11/h4,8-9,11-13H,5-7H2,1-3H3,(H,16,17)
InChIKeyOWRXXWMFSVYUSF-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid?
The IUPAC name of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid (CID 148847183) is 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid.
What is the SMILES notation for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid?
The canonical SMILES for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid is CC(C)C1CCC2(C)C3CC=C(C(=O)O)C2C13.
What is the InChIKey of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid?
The InChIKey is OWRXXWMFSVYUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)9-6-7-15(3)11-5-4-10(14(16)17)13(15)12(9)11/h4,8-9,11-13H,5-7H2,1-3H3,(H,16,17).
What are the key properties of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid?
1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid is sourced from PubChem (CID 148847183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).