methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate

C19H36O4Si — CID 10991920

IUPACmethyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCO
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-17-12-11-15(14-18(21)22-4)16(17)10-8-7-9-13-20/h7-8,15-17,20H,9-14H2,1-6H3/b8-7-/t15-,16+,17-/m1/s1
InChIKeyLDGJZVZZZYESLE-VBHIHJPTSA-N
MW356.58 g/mol
LogP4.29
Rot. Bonds8

About methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate

methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate (PubChem CID 10991920) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate
PubChem CID10991920
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Namemethyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCO
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-17-12-11-15(14-18(21)22-4)16(17)10-8-7-9-13-20/h7-8,15-17,20H,9-14H2,1-6H3/b8-7-/t15-,16+,17-/m1/s1
InChIKeyLDGJZVZZZYESLE-VBHIHJPTSA-N
XLogP4.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cucurbic acid
CID 6123064
(+)-Cucurbic acid
CID 5281159
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
CID 441565
7-Iso-cucurbic acid
CID 14262447
2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 14262445
2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
CID 86310507
2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 92975784
(1S,5R,6R,7R)-6-[(E)-3(RS)-t-butyldimethylsilyloxy-1-octenyl]-7-hydroxy-2-oxabicyclo[3.3.0]octan-3-one
CID 15224603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate (CID 10991920) is methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate is COC(=O)C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCO.
What is the InChIKey of methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate?
The InChIKey is LDGJZVZZZYESLE-VBHIHJPTSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-17-12-11-15(14-18(21)22-4)16(17)10-8-7-9-13-20/h7-8,15-17,20H,9-14H2,1-6H3/b8-7-/t15-,16+,17-/m1/s1.
What are the key properties of methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate has a molecular weight of 356.58 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-hydroxypent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 10991920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).