trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate

C32H68O5Si4 — CID 5366446

IUPACtrimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H68O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+
InChIKeyFKCQXUAYSAIKMH-OCOZRVBESA-N
MW645.24 g/mol
LogP10.14
Rot. Bonds20

About trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate

trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate (PubChem CID 5366446) has the molecular formula C32H68O5Si4 and a molecular weight of 645.24 g/mol. Its IUPAC name is trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
PubChem CID5366446
Molecular FormulaC32H68O5Si4
Molecular Weight645.24 g/mol
Exact Mass644.41
IUPAC Nametrimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H68O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+
InChIKeyFKCQXUAYSAIKMH-OCOZRVBESA-N
XLogP10.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.24
LogP ≤ 510.14
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 trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The IUPAC name of trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate (CID 5366446) is trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate.
What is the SMILES notation for trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The canonical SMILES for trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate is CCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The InChIKey is FKCQXUAYSAIKMH-OCOZRVBESA-N. The full InChI is InChI=1S/C32H68O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+.
What are the key properties of trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate has a molecular weight of 645.24 g/mol, XLogP of 10.14, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate is sourced from PubChem (CID 5366446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).