methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate

C20H36O5Si — CID 11760796

IUPACmethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@@H](CCCC2(C)OCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H36O5Si/c1-19(2,3)26(6,7)25-17-14-16(18(21)22-5)13-15(17)9-8-10-20(4)23-11-12-24-20/h13,15,17H,8-12,14H2,1-7H3/t15-,17-/m1/s1
InChIKeyQLOXZDPJPGTUPS-NVXWUHKLSA-N
MW384.59 g/mol
LogP4.43
Rot. Bonds7

About methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate (PubChem CID 11760796) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate
PubChem CID11760796
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@@H](CCCC2(C)OCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H36O5Si/c1-19(2,3)26(6,7)25-17-14-16(18(21)22-5)13-15(17)9-8-10-20(4)23-11-12-24-20/h13,15,17H,8-12,14H2,1-7H3/t15-,17-/m1/s1
InChIKeyQLOXZDPJPGTUPS-NVXWUHKLSA-N
XLogP4.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
CID 11108372
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2,3-dihydropyrrole-1-carboxylate
CID 15402084
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 91058414
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1R,5S,6S)-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 91490383
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethylcyclohexylidene]acetate
CID 71605773
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711
methyl (3aR,7S,7aR)-7-[tert-butyl(diphenyl)silyl]oxy-2,2-diethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 10743810
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
CID 11409489
methyl (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-prop-2-enylcyclohexane-1-carboxylate
CID 102066658
[(1S,3aS,7aS)-5,7a-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 58379451
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate?
The IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate (CID 11760796) is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate is COC(=O)C1=C[C@@H](CCCC2(C)OCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate?
The InChIKey is QLOXZDPJPGTUPS-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-19(2,3)26(6,7)25-17-14-16(18(21)22-5)13-15(17)9-8-10-20(4)23-11-12-24-20/h13,15,17H,8-12,14H2,1-7H3/t15-,17-/m1/s1.
What are the key properties of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate?
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate has a molecular weight of 384.59 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 11760796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).