trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate

C20H32O2Si — CID 102019751

IUPACtrans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1([Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-14(2)23(15(3)4,16(5)6)20(19(21)22-7)13-18(20)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3/t18-,20+/m1/s1
InChIKeyTZVYGIKYVVRCMK-QUCCMNQESA-N
MW332.56 g/mol
LogP5.77
Rot. Bonds6

About trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate

trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate (PubChem CID 102019751) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
PubChem CID102019751
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Nametrans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1([Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-14(2)23(15(3)4,16(5)6)20(19(21)22-7)13-18(20)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3/t18-,20+/m1/s1
InChIKeyTZVYGIKYVVRCMK-QUCCMNQESA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
CID 123994231
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
CID 70602858
dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate
CID 102517818
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829
dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
CID 101377661
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate (CID 102019751) is trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate is COC(=O)[C@]1([Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate?
The InChIKey is TZVYGIKYVVRCMK-QUCCMNQESA-N. The full InChI is InChI=1S/C20H32O2Si/c1-14(2)23(15(3)4,16(5)6)20(19(21)22-7)13-18(20)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3/t18-,20+/m1/s1.
What are the key properties of trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate has a molecular weight of 332.56 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate is sourced from PubChem (CID 102019751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).