tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate

C17H32O3Si — CID 101348858

IUPACtert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1C=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16(2,3)19-15(18)12-13-10-9-11-14(13)20-21(7,8)17(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyKKRQKDHGFSZJAV-KBPBESRZSA-N
MW312.53 g/mol
LogP4.68
Rot. Bonds4

About tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate

tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (PubChem CID 101348858) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
PubChem CID101348858
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1C=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16(2,3)19-15(18)12-13-10-9-11-14(13)20-21(7,8)17(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyKKRQKDHGFSZJAV-KBPBESRZSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate
CID 11055083
Methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
CID 15214222
methyl (E,2R,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720960
methyl (E,2S,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720961
[(2S)-pent-4-en-2-yl] 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 16120573
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 102392364
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
methyl 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl]propanoate
CID 134955379
(2R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 135015935
ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
CID 135067160

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (CID 101348858) is tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1C=CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The InChIKey is KKRQKDHGFSZJAV-KBPBESRZSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16(2,3)19-15(18)12-13-10-9-11-14(13)20-21(7,8)17(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate has a molecular weight of 312.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 101348858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).