(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid

C28H52O4Si — CID 70389591

IUPAC(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCCCCCC(C)[C@H](CCC1=CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O4Si/c1-8-9-12-15-22(2)26(32-33(6,7)28(3,4)5)21-19-23-18-20-25(29)24(23)16-13-10-11-14-17-27(30)31/h10,13,18,22,24-26,29H,8-9,11-12,14-17,19-21H2,1-7H3,(H,30,31)/b13-10-/t22?,24-,25+,26+/m1/s1
InChIKeyYOPQDOBUBYGVFH-LQQFDMKDSA-N
MW480.81 g/mol
LogP7.88
Rot. Bonds16

About (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid

(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (PubChem CID 70389591) has the molecular formula C28H52O4Si and a molecular weight of 480.81 g/mol. Its IUPAC name is (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
PubChem CID70389591
Molecular FormulaC28H52O4Si
Molecular Weight480.81 g/mol
Exact Mass480.36
IUPAC Name(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCCCCCC(C)[C@H](CCC1=CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O4Si/c1-8-9-12-15-22(2)26(32-33(6,7)28(3,4)5)21-19-23-18-20-25(29)24(23)16-13-10-11-14-17-27(30)31/h10,13,18,22,24-26,29H,8-9,11-12,14-17,19-21H2,1-7H3,(H,30,31)/b13-10-/t22?,24-,25+,26+/m1/s1
InChIKeyYOPQDOBUBYGVFH-LQQFDMKDSA-N
XLogP7.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic 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 (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (CID 70389591) is (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is CCCCCC(C)[C@H](CCC1=CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The InChIKey is YOPQDOBUBYGVFH-LQQFDMKDSA-N. The full InChI is InChI=1S/C28H52O4Si/c1-8-9-12-15-22(2)26(32-33(6,7)28(3,4)5)21-19-23-18-20-25(29)24(23)16-13-10-11-14-17-27(30)31/h10,13,18,22,24-26,29H,8-9,11-12,14-17,19-21H2,1-7H3,(H,30,31)/b13-10-/t22?,24-,25+,26+/m1/s1.
What are the key properties of (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
(Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid has a molecular weight of 480.81 g/mol, XLogP of 7.88, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 70389591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).