methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C17H32O3Si — CID 134840434

IUPACmethyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-11(2)13-10-14(12(3)15(13)16(18)19-7)20-21(8,9)17(4,5)6/h12-15H,1,10H2,2-9H3/t12-,13+,14-,15+/m1/s1
InChIKeyXLRLCHHCYHEYBE-BARDWOONSA-N
MW312.53 g/mol
LogP4.40
Rot. Bonds4

About methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 134840434) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID134840434
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-11(2)13-10-14(12(3)15(13)16(18)19-7)20-21(8,9)17(4,5)6/h12-15H,1,10H2,2-9H3/t12-,13+,14-,15+/m1/s1
InChIKeyXLRLCHHCYHEYBE-BARDWOONSA-N
XLogP4.40
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 ≤ 54.40
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

(3aR,4S,6aS)-6,6-dimethyl-4-[(1S,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-3-prop-2-enyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 135068734
CID 178270085
CID 178270085
CID 178270088
CID 178270088
methyl (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopentane-1-carboxylate
CID 101616361
methyl 6-[(1R,2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)cyclopentyl]hept-6-enoate
CID 18606759
methyl 6-[(1S,2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylcyclopentyl]hept-6-enoate
CID 22840026
methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-methylpent-4-enyl)cyclopentyl]heptanoate
CID 59719066
7-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one
CID 132553826
(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 139623995
methyl 6-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]hept-6-enoate
CID 173421031
methyl 2-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylcyclopentyl]acetate
CID 173987696
(3S,3aS,4R,6aR)-6,6-dimethyl-3-prop-2-enyl-4-[(1S)-1-triethylsilyloxybut-3-enyl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10904960

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 134840434) is methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is XLRLCHHCYHEYBE-BARDWOONSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-11(2)13-10-14(12(3)15(13)16(18)19-7)20-21(8,9)17(4,5)6/h12-15H,1,10H2,2-9H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 134840434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).