cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate

C16H32O4Si — CID 66918779

IUPACcis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1COC
InChIInChI=1S/C16H32O4Si/c1-8-19-15(17)14-10-13(9-12(14)11-18-5)20-21(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12-,13?,14+/m0/s1
InChIKeyLICGNAQEDMZQTO-SMEJFCCLSA-N
MW316.51 g/mol
LogP3.61
Rot. Bonds6

About cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate

cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate (PubChem CID 66918779) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate
PubChem CID66918779
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namecis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1COC
InChIInChI=1S/C16H32O4Si/c1-8-19-15(17)14-10-13(9-12(14)11-18-5)20-21(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12-,13?,14+/m0/s1
InChIKeyLICGNAQEDMZQTO-SMEJFCCLSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate (CID 66918779) is cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1COC.
What is the InChIKey of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate?
The InChIKey is LICGNAQEDMZQTO-SMEJFCCLSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-19-15(17)14-10-13(9-12(14)11-18-5)20-21(6,7)16(2,3)4/h12-14H,8-11H2,1-7H3/t12-,13?,14+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate?
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate has a molecular weight of 316.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 66918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).