[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate

C24H40O6 — CID 11396156

IUPAC[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate
SMILESCCCCCCCCCCCCCCC(=O)C1(O)C(OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(27)24(28)22(29-19(2)25)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22-,23?,24?/m1/s1
InChIKeyGBSJJHOHZCOVQW-ZKMFCFPVSA-N
MW424.58 g/mol
LogP4.81
Rot. Bonds16

About [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate

[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate (PubChem CID 11396156) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol. Its IUPAC name is [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate
PubChem CID11396156
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Name[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate
SMILESCCCCCCCCCCCCCCC(=O)C1(O)C(OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(27)24(28)22(29-19(2)25)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22-,23?,24?/m1/s1
InChIKeyGBSJJHOHZCOVQW-ZKMFCFPVSA-N
XLogP4.81
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate (CID 11396156) is [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate is CCCCCCCCCCCCCCC(=O)C1(O)C(OC(C)=O)C=C[C@H]1OC(C)=O.
What is the InChIKey of [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate?
The InChIKey is GBSJJHOHZCOVQW-ZKMFCFPVSA-N. The full InChI is InChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(27)24(28)22(29-19(2)25)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22-,23?,24?/m1/s1.
What are the key properties of [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate?
[(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate has a molecular weight of 424.58 g/mol, XLogP of 4.81, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11396156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).