(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid

C29H44O4Si — CID 67771496

IUPAC(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC(=CCCCc1ccccc1)C1=CCC(O)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C29H44O4Si/c1-29(2,3)34(4,5)33-27(19-14-13-17-23-15-9-8-10-16-23)25-21-22-26(30)24(25)18-11-6-7-12-20-28(31)32/h6,8-11,15-16,19,21,24,26,30H,7,12-14,17-18,20,22H2,1-5H3,(H,31,32)/b11-6-,27-19?
InChIKeyMQUBOWZHULVMGJ-TUOFMIPHSA-N
MW484.75 g/mol
LogP7.42
Rot. Bonds13

About (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid

(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (PubChem CID 67771496) has the molecular formula C29H44O4Si and a molecular weight of 484.75 g/mol. Its IUPAC name is (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
PubChem CID67771496
Molecular FormulaC29H44O4Si
Molecular Weight484.75 g/mol
Exact Mass484.30
IUPAC Name(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC(=CCCCc1ccccc1)C1=CCC(O)C1C/C=C\CCCC(=O)O
InChIInChI=1S/C29H44O4Si/c1-29(2,3)34(4,5)33-27(19-14-13-17-23-15-9-8-10-16-23)25-21-22-26(30)24(25)18-11-6-7-12-20-28(31)32/h6,8-11,15-16,19,21,24,26,30H,7,12-14,17-18,20,22H2,1-5H3,(H,31,32)/b11-6-,27-19?
InChIKeyMQUBOWZHULVMGJ-TUOFMIPHSA-N
XLogP7.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390007
(E)-7-[(1R,3R)-3-hydroxy-5-oxo-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10177191
(Z)-7-[(3R,4S)-4-(2-phenylethoxymethyl)oxolan-3-yl]hept-5-enoic acid
CID 70399996
(Z)-7-[(1S,3R,4S,5S)-3-[(E)-5-phenylpent-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
CID 142858559
(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
CID 70399511
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
CID 142078244
(3aR,4R,5R,6aS)-4-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 67006846
(E)-7-[(3Z)-2-[(E)-3-ethyl-3-hydroxy-6-phenylhex-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoic acid
CID 22085170
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390089
(Z)-7-[(1R,2R,3S,4S)-3-[2-(3-phenylpropylsulfinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70510239
(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 70185797
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-5-phenyl-3-phosphanyloxypentyl]cyclopentyl]hept-5-enoic acid
CID 91159489

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (CID 67771496) is (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is CC(C)(C)[Si](C)(C)OC(=CCCCc1ccccc1)C1=CCC(O)C1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The InChIKey is MQUBOWZHULVMGJ-TUOFMIPHSA-N. The full InChI is InChI=1S/C29H44O4Si/c1-29(2,3)34(4,5)33-27(19-14-13-17-23-15-9-8-10-16-23)25-21-22-26(30)24(25)18-11-6-7-12-20-28(31)32/h6,8-11,15-16,19,21,24,26,30H,7,12-14,17-18,20,22H2,1-5H3,(H,31,32)/b11-6-,27-19?.
What are the key properties of (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid has a molecular weight of 484.75 g/mol, XLogP of 7.42, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 67771496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).