Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-

C23H37O4Si — CID 91741858

IUPAC—
SMILESCCCCC[C@@H](/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C
InChIInChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+/t20-/m0/s1
InChIKeyNNXNEJZOZAMMDH-OHLUAGBSSA-N
MW405.63 g/mol
LogP5.71
Rot. Bonds14

About Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-

Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)- (PubChem CID 91741858) has the molecular formula C23H37O4Si and a molecular weight of 405.63 g/mol.

Molecular Properties

Compound NameProsta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-
PubChem CID91741858
Molecular FormulaC23H37O4Si
Molecular Weight405.63 g/mol
Exact Mass405.25
IUPAC Name—
SMILESCCCCC[C@@H](/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C
InChIInChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+/t20-/m0/s1
InChIKeyNNXNEJZOZAMMDH-OHLUAGBSSA-N
XLogP5.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-?
The IUPAC name of Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)- (CID 91741858) is not available.
What is the SMILES notation for Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-?
The canonical SMILES for Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)- is CCCCC[C@@H](/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C.
What is the InChIKey of Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-?
The InChIKey is NNXNEJZOZAMMDH-OHLUAGBSSA-N. The full InChI is InChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+/t20-/m0/s1.
What are the key properties of Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-?
Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)- has a molecular weight of 405.63 g/mol, XLogP of 5.71, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)- is sourced from PubChem (CID 91741858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).