2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid

C26H48O3Si — CID 20596651

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid
SMILESCCCCCC/C=C/[C@H]1CCC=C1CCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C26H48O3Si/c1-7-8-9-10-11-13-17-22-19-16-20-23(22)18-14-12-15-21-24(25(27)28)29-30(5,6)26(2,3)4/h13,17,20,22,24H,7-12,14-16,18-19,21H2,1-6H3,(H,27,28)/b17-13+/t22-,24?/m0/s1
InChIKeyRFEWWOFEZNNREV-CIIGGCMJSA-N
MW436.75 g/mol
LogP8.27
Rot. Bonds15

About 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid (PubChem CID 20596651) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid
PubChem CID20596651
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid
SMILESCCCCCC/C=C/[C@H]1CCC=C1CCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C26H48O3Si/c1-7-8-9-10-11-13-17-22-19-16-20-23(22)18-14-12-15-21-24(25(27)28)29-30(5,6)26(2,3)4/h13,17,20,22,24H,7-12,14-16,18-19,21H2,1-6H3,(H,27,28)/b17-13+/t22-,24?/m0/s1
InChIKeyRFEWWOFEZNNREV-CIIGGCMJSA-N
XLogP8.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

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CID 129725929
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CID 134695181
CID 134695181
CID 9907425
CID 9907425
CID 11774600
CID 11774600
CID 15015793
CID 15015793
CID 18395455
CID 18395455
CID 18395495
CID 18395495
CID 18595127
CID 18595127
CID 18636602
CID 18636602

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid (CID 20596651) is 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid is CCCCCC/C=C/[C@H]1CCC=C1CCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid?
The InChIKey is RFEWWOFEZNNREV-CIIGGCMJSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-7-8-9-10-11-13-17-22-19-16-20-23(22)18-14-12-15-21-24(25(27)28)29-30(5,6)26(2,3)4/h13,17,20,22,24H,7-12,14-16,18-19,21H2,1-6H3,(H,27,28)/b17-13+/t22-,24?/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid has a molecular weight of 436.75 g/mol, XLogP of 8.27, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-7-[(5R)-5-[(E)-oct-1-enyl]cyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 20596651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).