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

C27H50O5Si2 — CID 5376479

IUPACmethyl 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)OC)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H50O5Si2/c1-9-10-11-14-21(31-33(3,4)5)17-18-23-24-19-22(15-12-13-16-27(28)29-2)30-25(24)20-26(23)32-34(6,7)8/h17-19,21-23,25-26H,9-16,20H2,1-8H3/b18-17+
InChIKeyDMIVKSHQLZXCSW-ISLYRVAYSA-N
MW510.86 g/mol
LogP7.01
Rot. Bonds15

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

methyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate (PubChem CID 5376479) has the molecular formula C27H50O5Si2 and a molecular weight of 510.86 g/mol. Its IUPAC name is methyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
PubChem CID5376479
Molecular FormulaC27H50O5Si2
Molecular Weight510.86 g/mol
Exact Mass510.32
IUPAC Namemethyl 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)OC)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H50O5Si2/c1-9-10-11-14-21(31-33(3,4)5)17-18-23-24-19-22(15-12-13-16-27(28)29-2)30-25(24)20-26(23)32-34(6,7)8/h17-19,21-23,25-26H,9-16,20H2,1-8H3/b18-17+
InChIKeyDMIVKSHQLZXCSW-ISLYRVAYSA-N
XLogP7.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.86
LogP ≤ 57.01
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'}

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

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Frequently Asked Questions

What is the IUPAC name of methyl 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 methyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate (CID 5376479) is methyl 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 methyl 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 methyl 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)OC)OC2CC1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
The InChIKey is DMIVKSHQLZXCSW-ISLYRVAYSA-N. The full InChI is InChI=1S/C27H50O5Si2/c1-9-10-11-14-21(31-33(3,4)5)17-18-23-24-19-22(15-12-13-16-27(28)29-2)30-25(24)20-26(23)32-34(6,7)8/h17-19,21-23,25-26H,9-16,20H2,1-8H3/b18-17+.
What are the key properties of methyl 5-[5-trimethylsilyloxy-4-[(E)-3-trimethylsilyloxyoct-1-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]pentanoate?
methyl 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 510.86 g/mol, XLogP of 7.01, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 5376479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).