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

C30H62O5Si3 — CID 634633

IUPACmethyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
SMILESCCCCCC(C=CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H62O5Si3/c1-12-13-16-19-25(33-36(3,4)5)22-23-27-26(20-17-14-15-18-21-30(31)32-2)28(34-37(6,7)8)24-29(27)35-38(9,10)11/h22-23,25-29H,12-21,24H2,1-11H3
InChIKeyFOXUOOPJGRZTOS-UHFFFAOYSA-N
MW587.08 g/mol
LogP8.93
Rot. Bonds19

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

methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate (PubChem CID 634633) has the molecular formula C30H62O5Si3 and a molecular weight of 587.08 g/mol. Its IUPAC name is methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
PubChem CID634633
Molecular FormulaC30H62O5Si3
Molecular Weight587.08 g/mol
Exact Mass586.39
IUPAC Namemethyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
SMILESCCCCCC(C=CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H62O5Si3/c1-12-13-16-19-25(33-36(3,4)5)22-23-27-26(20-17-14-15-18-21-30(31)32-2)28(34-37(6,7)8)24-29(27)35-38(9,10)11/h22-23,25-29H,12-21,24H2,1-11H3
InChIKeyFOXUOOPJGRZTOS-UHFFFAOYSA-N
XLogP8.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.08
LogP ≤ 58.93
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 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate with MolForge

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Related Compounds

methyl (E)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 102116988
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
methyl 7-[(1R,2R,3R)-5-oxo-3-triethylsilyloxy-2-[(E,3S)-3-triethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
CID 142487381
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(1R,2S,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxy-2-(2-triethylsilyloxyethyl)cyclopentyl]hept-6-enoate
CID 11686397
methyl (Z)-7-[(1S,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-en(18O2)oate
CID 10603472
methyl 5-[5-trimethylsilyloxy-4-(3-trimethylsilyloxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
CID 582337
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 7-[4-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]thiolan-2-yl]heptanoate
CID 70624657
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate?
The IUPAC name of methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate (CID 634633) is methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate is CCCCCC(C=CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate?
The InChIKey is FOXUOOPJGRZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O5Si3/c1-12-13-16-19-25(33-36(3,4)5)22-23-27-26(20-17-14-15-18-21-30(31)32-2)28(34-37(6,7)8)24-29(27)35-38(9,10)11/h22-23,25-29H,12-21,24H2,1-11H3.
What are the key properties of methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate?
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate has a molecular weight of 587.08 g/mol, XLogP of 8.93, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate is sourced from PubChem (CID 634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).