methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate

C25H48O7Si — CID 123263619

IUPACmethyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate
SMILESCOC(=O)CCCC(O)CCC1C(O)CC(OC2CCCCO2)C1C(C)(C)O[SiH2]C(C)(C)C
InChIInChI=1S/C25H48O7Si/c1-24(2,3)33-32-25(4,5)23-18(14-13-17(26)10-9-11-21(28)29-6)19(27)16-20(23)31-22-12-7-8-15-30-22/h17-20,22-23,26-27H,7-16,33H2,1-6H3
InChIKeyQUGQOKFILFLNDA-UHFFFAOYSA-N
MW488.74 g/mol
LogP3.48
Rot. Bonds12

About methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate

methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate (PubChem CID 123263619) has the molecular formula C25H48O7Si and a molecular weight of 488.74 g/mol. Its IUPAC name is methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate.

Molecular Properties

Compound Namemethyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate
PubChem CID123263619
Molecular FormulaC25H48O7Si
Molecular Weight488.74 g/mol
Exact Mass488.32
IUPAC Namemethyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate
SMILESCOC(=O)CCCC(O)CCC1C(O)CC(OC2CCCCO2)C1C(C)(C)O[SiH2]C(C)(C)C
InChIInChI=1S/C25H48O7Si/c1-24(2,3)33-32-25(4,5)23-18(14-13-17(26)10-9-11-21(28)29-6)19(27)16-20(23)31-22-12-7-8-15-30-22/h17-20,22-23,26-27H,7-16,33H2,1-6H3
InChIKeyQUGQOKFILFLNDA-UHFFFAOYSA-N
XLogP3.48
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 7-[(1R,2S,3R,5S)-2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 173040304
(Z)-7-[5-acetyloxy-2-(2-tert-butylsilyloxypropan-2-yl)-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 173366025
[3-(2-tert-butylsilyloxypropan-2-yl)-4-(oxan-2-yloxy)-2-[2-(6-oxooxan-2-yl)ethyl]cyclopentyl] acetate
CID 173366023
methyl 7-[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 91340586
methyl 7-[(1R,2R,3R,5S)-5-acetyloxy-2-formyl-3-(oxan-2-yloxy)cyclopentyl]heptanoate
CID 11729034
methyl 7-[(1S,2S,3S,5R)-5-hydroxy-2-morpholin-4-yl-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 54200942
methyl 7-[(1S,2S,3S,5R)-5-acetyloxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 22806362
methyl 7-[(1R,2S,3R,5S)-5-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(oxan-2-yloxy)cyclopentyl]heptanoate
CID 24875831
methyl (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyldec-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 70578013
methyl 5-acetyloxy-7-[(1R,2R,3R,5S)-5-acetyloxy-3-(oxan-2-yloxy)-2-[(E)-3-oxo-4-phenoxybut-1-enyl]cyclopentyl]heptanoate
CID 67896419
methyl 5-[(3aS,5R,6R,6aS)-6-(4-fluoro-3-oxooctyl)-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
CID 18648699
methyl (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(E,3S)-3-(oxan-2-yloxy)oct-1-en-6-ynyl]cyclopentyl]hept-5-enoate
CID 70548451

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate?
The IUPAC name of methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate (CID 123263619) is methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate.
What is the SMILES notation for methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate?
The canonical SMILES for methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate is COC(=O)CCCC(O)CCC1C(O)CC(OC2CCCCO2)C1C(C)(C)O[SiH2]C(C)(C)C.
What is the InChIKey of methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate?
The InChIKey is QUGQOKFILFLNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O7Si/c1-24(2,3)33-32-25(4,5)23-18(14-13-17(26)10-9-11-21(28)29-6)19(27)16-20(23)31-22-12-7-8-15-30-22/h17-20,22-23,26-27H,7-16,33H2,1-6H3.
What are the key properties of methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate?
methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate has a molecular weight of 488.74 g/mol, XLogP of 3.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-(2-tert-butylsilyloxypropan-2-yl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]-5-hydroxyheptanoate is sourced from PubChem (CID 123263619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).