[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol

C30H44O4Si — CID 11329456

IUPAC[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol
SMILESC=CC[C@](C)(OCOC)[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H]1CO
InChIInChI=1S/C30H44O4Si/c1-8-19-30(6,33-22-32-7)27-20-28(23(2)26(27)21-31)34-35(29(3,4)5,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-18,23,26-28,31H,1,19-22H2,2-7H3/t23-,26-,27+,28+,30+/m1/s1
InChIKeyYVIFQBXEZMYASJ-BGXFCQFZSA-N
MW496.76 g/mol
LogP5.15
Rot. Bonds11

About [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol

[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol (PubChem CID 11329456) has the molecular formula C30H44O4Si and a molecular weight of 496.76 g/mol. Its IUPAC name is [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol
PubChem CID11329456
Molecular FormulaC30H44O4Si
Molecular Weight496.76 g/mol
Exact Mass496.30
IUPAC Name[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol
SMILESC=CC[C@](C)(OCOC)[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H]1CO
InChIInChI=1S/C30H44O4Si/c1-8-19-30(6,33-22-32-7)27-20-28(23(2)26(27)21-31)34-35(29(3,4)5,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-18,23,26-28,31H,1,19-22H2,2-7H3/t23-,26-,27+,28+,30+/m1/s1
InChIKeyYVIFQBXEZMYASJ-BGXFCQFZSA-N
XLogP5.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR,4S,5S,6aS)-4-((tert-butyldiphenylsilyloxy)methyl)-5-fluorohexahydro-2H-cyclopenta[b]furan-2-ol
CID 12073621
(3aR,4R,5S,6aS)-4-[(t-Butyldiphenylsiloxy)methyl]-5-fluoro-2-hydroxyhexahydro-2H-cyclopenta[b]furan
CID 22966592
(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
CID 11189032
[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane
CID 11239201
tert-butyl-[(1S,2R,3R,4S)-3-[(1S)-2-ethoxy-1-triethylsilyloxyprop-2-enyl]-4-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]oxy-diphenylsilane
CID 11422536
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
tert-butyl-[[(2R,4S,5S,8S,9R)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
CID 11706330
(3R,5R,6S)-8-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-6-methyloctane-1,3-diol
CID 16202354
[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol
CID 134972367
(1S,2S,3aS)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-7a-(3-hydroxypropyl)-7-(methoxymethoxy)-5-(methoxymethoxymethyl)-1,2,3,3a,4,5,6,7-octahydroinden-2-ol
CID 135019606
(1S,2S,3aS)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-7a-(3-hydroxypropyl)-7-(methoxymethoxy)-5-methyl-1,2,3,3a,4,5,6,7-octahydroinden-2-ol
CID 135041710
tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
CID 162403379

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol (CID 11329456) is [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol is C=CC[C@](C)(OCOC)[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H]1CO.
What is the InChIKey of [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol?
The InChIKey is YVIFQBXEZMYASJ-BGXFCQFZSA-N. The full InChI is InChI=1S/C30H44O4Si/c1-8-19-30(6,33-22-32-7)27-20-28(23(2)26(27)21-31)34-35(29(3,4)5,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-18,23,26-28,31H,1,19-22H2,2-7H3/t23-,26-,27+,28+,30+/m1/s1.
What are the key properties of [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol?
[(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol has a molecular weight of 496.76 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]methanol is sourced from PubChem (CID 11329456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).