2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid

C26H44O7 — CID 20736152

IUPAC2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OC1CC2CCC1(C)C2(C)C)C(=O)O
InChIInChI=1S/C26H44O7/c1-9-24(6,19(28)29)16-25(7,15-22(2,3)20(30)32-13-12-27)21(31)33-18-14-17-10-11-26(18,8)23(17,4)5/h17-18,27H,9-16H2,1-8H3,(H,28,29)
InChIKeyLWASRZCNQSQTJT-UHFFFAOYSA-N
MW468.63 g/mol
LogP4.59
Rot. Bonds11

About 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid

2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid (PubChem CID 20736152) has the molecular formula C26H44O7 and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid.

Molecular Properties

Compound Name2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid
PubChem CID20736152
Molecular FormulaC26H44O7
Molecular Weight468.63 g/mol
Exact Mass468.31
IUPAC Name2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OC1CC2CCC1(C)C2(C)C)C(=O)O
InChIInChI=1S/C26H44O7/c1-9-24(6,19(28)29)16-25(7,15-22(2,3)20(30)32-13-12-27)21(31)33-18-14-17-10-11-26(18,8)23(17,4)5/h17-18,27H,9-16H2,1-8H3,(H,28,29)
InChIKeyLWASRZCNQSQTJT-UHFFFAOYSA-N
XLogP4.59
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid?
The IUPAC name of 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid (CID 20736152) is 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid.
What is the SMILES notation for 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid?
The canonical SMILES for 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid is CCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OC1CC2CCC1(C)C2(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid?
The InChIKey is LWASRZCNQSQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O7/c1-9-24(6,19(28)29)16-25(7,15-22(2,3)20(30)32-13-12-27)21(31)33-18-14-17-10-11-26(18,8)23(17,4)5/h17-18,27H,9-16H2,1-8H3,(H,28,29).
What are the key properties of 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid?
2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid has a molecular weight of 468.63 g/mol, XLogP of 4.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(2-hydroxyethoxy)-2,4,6,6-tetramethyl-7-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]heptanoic acid is sourced from PubChem (CID 20736152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).