methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate

C28H58O5Si3 — CID 5378162

IUPACmethyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C28H58O5Si3/c1-12-13-14-17-23(31-34(3,4)5)20-21-25-24(18-15-16-19-28(29)30-2)26(32-35(6,7)8)22-27(25)33-36(9,10)11/h20-21,23-27H,12-19,22H2,1-11H3/b21-20+
InChIKeyBUFJDNVAXXMLRF-QZQOTICOSA-N
MW559.03 g/mol
LogP8.15
Rot. Bonds17

About methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate

methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate (PubChem CID 5378162) has the molecular formula C28H58O5Si3 and a molecular weight of 559.03 g/mol. Its IUPAC name is methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate
PubChem CID5378162
Molecular FormulaC28H58O5Si3
Molecular Weight559.03 g/mol
Exact Mass558.36
IUPAC Namemethyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C28H58O5Si3/c1-12-13-14-17-23(31-34(3,4)5)20-21-25-24(18-15-16-19-28(29)30-2)26(32-35(6,7)8)22-27(25)33-36(9,10)11/h20-21,23-27H,12-19,22H2,1-11H3/b21-20+
InChIKeyBUFJDNVAXXMLRF-QZQOTICOSA-N
XLogP8.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.03
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate?
The IUPAC name of methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate (CID 5378162) is methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate.
What is the SMILES notation for methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate?
The canonical SMILES for methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate is CCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate?
The InChIKey is BUFJDNVAXXMLRF-QZQOTICOSA-N. The full InChI is InChI=1S/C28H58O5Si3/c1-12-13-14-17-23(31-34(3,4)5)20-21-25-24(18-15-16-19-28(29)30-2)26(32-35(6,7)8)22-27(25)33-36(9,10)11/h20-21,23-27H,12-19,22H2,1-11H3/b21-20+.
What are the key properties of methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate?
methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate has a molecular weight of 559.03 g/mol, XLogP of 8.15, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]pentanoate is sourced from PubChem (CID 5378162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).