4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol

C37H72O5Si3 — CID 102019432

IUPAC4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC[C@@H]1[C@@H](CCCCO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)COc1ccccc1
InChIInChI=1S/C37H72O5Si3/c1-35(2,3)43(10,11)40-30(28-39-29-21-17-16-18-22-29)24-25-32-31(23-19-20-26-38)33(41-44(12,13)36(4,5)6)27-34(32)42-45(14,15)37(7,8)9/h16-18,21-22,30-34,38H,19-20,23-28H2,1-15H3/t30-,31-,32-,33+,34-/m1/s1
InChIKeyYBCXCDCSLMGMAI-VIYJWPFNSA-N
MW681.24 g/mol
LogP10.82
Rot. Bonds16

About 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol

4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol (PubChem CID 102019432) has the molecular formula C37H72O5Si3 and a molecular weight of 681.24 g/mol. Its IUPAC name is 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol.

Molecular Properties

Compound Name4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol
PubChem CID102019432
Molecular FormulaC37H72O5Si3
Molecular Weight681.24 g/mol
Exact Mass680.47
IUPAC Name4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC[C@@H]1[C@@H](CCCCO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)COc1ccccc1
InChIInChI=1S/C37H72O5Si3/c1-35(2,3)43(10,11)40-30(28-39-29-21-17-16-18-22-29)24-25-32-31(23-19-20-26-38)33(41-44(12,13)36(4,5)6)27-34(32)42-45(14,15)37(7,8)9/h16-18,21-22,30-34,38H,19-20,23-28H2,1-15H3/t30-,31-,32-,33+,34-/m1/s1
InChIKeyYBCXCDCSLMGMAI-VIYJWPFNSA-N
XLogP10.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.24
LogP ≤ 510.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-[(1R,2R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]heptanoic acid
CID 18636765
7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]-5-hydroxycyclopent-2-en-1-yl]heptanoic acid
CID 18636967
methyl 7-[(1R,2R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-hydroxy-4-phenyliminobutyl)cyclopentyl]heptanoate
CID 59910557
methyl 7-[(1R,2R,5S)-2-(4-anilino-4-oxobutyl)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]heptanoate
CID 59910577
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane
CID 10951884
(E)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-hydroxy-5-phenylmethoxycyclopentyl]hept-3-enoic acid
CID 67758851
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390089
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
8-[(1R,2S,3R,5S)-2-[(3R)-3-(1-benzothiophen-2-yl)butyl]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]octanoic acid
CID 90440756
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
3-[(1R,2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(7-oxooctyl)cyclopentyl]propanal
CID 59075699

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol?
The IUPAC name of 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol (CID 102019432) is 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol.
What is the SMILES notation for 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol?
The canonical SMILES for 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CC[C@@H]1[C@@H](CCCCO)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)COc1ccccc1.
What is the InChIKey of 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol?
The InChIKey is YBCXCDCSLMGMAI-VIYJWPFNSA-N. The full InChI is InChI=1S/C37H72O5Si3/c1-35(2,3)43(10,11)40-30(28-39-29-21-17-16-18-22-29)24-25-32-31(23-19-20-26-38)33(41-44(12,13)36(4,5)6)27-34(32)42-45(14,15)37(7,8)9/h16-18,21-22,30-34,38H,19-20,23-28H2,1-15H3/t30-,31-,32-,33+,34-/m1/s1.
What are the key properties of 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol?
4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol has a molecular weight of 681.24 g/mol, XLogP of 10.82, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybutyl]cyclopentyl]butan-1-ol is sourced from PubChem (CID 102019432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).