2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid

C16H24O7 — CID 75528877

IUPAC2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
SMILESCC1(C)C2CCC1(C)C(OC(=O)CC(O)(CC(=O)O)C(=O)O)C2
InChIInChI=1S/C16H24O7/c1-14(2)9-4-5-15(14,3)10(6-9)23-12(19)8-16(22,13(20)21)7-11(17)18/h9-10,22H,4-8H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRZILTIPWCHNOKU-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.42
Rot. Bonds6

About 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid

2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid (PubChem CID 75528877) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
PubChem CID75528877
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
SMILESCC1(C)C2CCC1(C)C(OC(=O)CC(O)(CC(=O)O)C(=O)O)C2
InChIInChI=1S/C16H24O7/c1-14(2)9-4-5-15(14,3)10(6-9)23-12(19)8-16(22,13(20)21)7-11(17)18/h9-10,22H,4-8H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRZILTIPWCHNOKU-UHFFFAOYSA-N
XLogP1.42
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid?
The IUPAC name of 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid (CID 75528877) is 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid.
What is the SMILES notation for 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid?
The canonical SMILES for 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid is CC1(C)C2CCC1(C)C(OC(=O)CC(O)(CC(=O)O)C(=O)O)C2.
What is the InChIKey of 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid?
The InChIKey is RZILTIPWCHNOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-14(2)9-4-5-15(14,3)10(6-9)23-12(19)8-16(22,13(20)21)7-11(17)18/h9-10,22H,4-8H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid?
2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid has a molecular weight of 328.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid is sourced from PubChem (CID 75528877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).