trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate

C29H56O5Si3 — CID 5376481

IUPACtrimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
SMILESCCCCCC(/C=C/C1C2=CC(CCCCC(=O)O[Si](C)(C)C)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H56O5Si3/c1-11-12-13-16-23(32-35(2,3)4)19-20-25-26-21-24(17-14-15-18-29(30)34-37(8,9)10)31-27(26)22-28(25)33-36(5,6)7/h19-21,23-25,27-28H,11-18,22H2,1-10H3/b20-19+
InChIKeyPNHLIMSVNCEXBQ-FMQUCBEESA-N
MW569.02 g/mol
LogP8.22
Rot. Bonds16

About trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate

trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate (PubChem CID 5376481) has the molecular formula C29H56O5Si3 and a molecular weight of 569.02 g/mol. Its IUPAC name is trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
PubChem CID5376481
Molecular FormulaC29H56O5Si3
Molecular Weight569.02 g/mol
Exact Mass568.34
IUPAC Nametrimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
SMILESCCCCCC(/C=C/C1C2=CC(CCCCC(=O)O[Si](C)(C)C)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H56O5Si3/c1-11-12-13-16-23(32-35(2,3)4)19-20-25-26-21-24(17-14-15-18-29(30)34-37(8,9)10)31-27(26)22-28(25)33-36(5,6)7/h19-21,23-25,27-28H,11-18,22H2,1-10H3/b20-19+
InChIKeyPNHLIMSVNCEXBQ-FMQUCBEESA-N
XLogP8.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.02
LogP ≤ 58.22
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 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
The IUPAC name of trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate (CID 5376481) is trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate.
What is the SMILES notation for trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
The canonical SMILES for trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate is CCCCCC(/C=C/C1C2=CC(CCCCC(=O)O[Si](C)(C)C)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
The InChIKey is PNHLIMSVNCEXBQ-FMQUCBEESA-N. The full InChI is InChI=1S/C29H56O5Si3/c1-11-12-13-16-23(32-35(2,3)4)19-20-25-26-21-24(17-14-15-18-29(30)34-37(8,9)10)31-27(26)22-28(25)33-36(5,6)7/h19-21,23-25,27-28H,11-18,22H2,1-10H3/b20-19+.
What are the key properties of trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate has a molecular weight of 569.02 g/mol, XLogP of 8.22, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate is sourced from PubChem (CID 5376481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).