2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid

C15H20O2 — CID 83147914

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(CC1Cc2ccccc21)C(=O)O
InChIInChI=1S/C15H20O2/c1-10(2)15(3,14(16)17)9-12-8-11-6-4-5-7-13(11)12/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyCDOOYHSNBNGJNC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.46
Rot. Bonds4

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid (PubChem CID 83147914) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid
PubChem CID83147914
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(CC1Cc2ccccc21)C(=O)O
InChIInChI=1S/C15H20O2/c1-10(2)15(3,14(16)17)9-12-8-11-6-4-5-7-13(11)12/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyCDOOYHSNBNGJNC-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid (CID 83147914) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid is CC(C)C(C)(CC1Cc2ccccc21)C(=O)O.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid?
The InChIKey is CDOOYHSNBNGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)15(3,14(16)17)9-12-8-11-6-4-5-7-13(11)12/h4-7,10,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).