trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate

C32H64O5Si4 — CID 91753005

IUPACtrimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate
SMILESCC/C=C\C[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H64O5Si4/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/h15-16,18-19,24-25,27-31H,14,17,20-23,26H2,1-13H3/b18-15-,19-16-,25-24+/t27-,28+,29+,30-,31+/m0/s1
InChIKeyIETWKNBKTVCSBD-YQVNPAJISA-N
MW641.20 g/mol
LogP9.69
Rot. Bonds18

About trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate

trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate (PubChem CID 91753005) has the molecular formula C32H64O5Si4 and a molecular weight of 641.20 g/mol. Its IUPAC name is trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate
PubChem CID91753005
Molecular FormulaC32H64O5Si4
Molecular Weight641.20 g/mol
Exact Mass640.38
IUPAC Nametrimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate
SMILESCC/C=C\C[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H64O5Si4/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/h15-16,18-19,24-25,27-31H,14,17,20-23,26H2,1-13H3/b18-15-,19-16-,25-24+/t27-,28+,29+,30-,31+/m0/s1
InChIKeyIETWKNBKTVCSBD-YQVNPAJISA-N
XLogP9.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.20
LogP ≤ 59.69
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 (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate?
The IUPAC name of trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate (CID 91753005) is trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate.
What is the SMILES notation for trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate?
The canonical SMILES for trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate is CC/C=C\C[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate?
The InChIKey is IETWKNBKTVCSBD-YQVNPAJISA-N. The full InChI is InChI=1S/C32H64O5Si4/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/h15-16,18-19,24-25,27-31H,14,17,20-23,26H2,1-13H3/b18-15-,19-16-,25-24+/t27-,28+,29+,30-,31+/m0/s1.
What are the key properties of trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate?
trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate has a molecular weight of 641.20 g/mol, XLogP of 9.69, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(1E,3S,5Z)-3-trimethylsilyloxyocta-1,5-dienyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 91753005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).