2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid

C15H24O4 — CID 18185814

IUPAC2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESCC(C)(C)OC(=O)CC1(CC(=O)O)CC2CCCC21
InChIInChI=1S/C15H24O4/c1-14(2,3)19-13(18)9-15(8-12(16)17)7-10-5-4-6-11(10)15/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyTVLASQXAUMPNLX-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.00
Rot. Bonds4

About 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 18185814) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID18185814
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESCC(C)(C)OC(=O)CC1(CC(=O)O)CC2CCCC21
InChIInChI=1S/C15H24O4/c1-14(2,3)19-13(18)9-15(8-12(16)17)7-10-5-4-6-11(10)15/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyTVLASQXAUMPNLX-UHFFFAOYSA-N
XLogP3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 18185814) is 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid is CC(C)(C)OC(=O)CC1(CC(=O)O)CC2CCCC21.
What is the InChIKey of 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is TVLASQXAUMPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-14(2,3)19-13(18)9-15(8-12(16)17)7-10-5-4-6-11(10)15/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 268.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 18185814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).