methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate

C16H32O2Si — CID 135039673

IUPACmethyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC[C@H]1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h11-15H,8-10H2,1-7H3/t14-,15?/m0/s1
InChIKeyIZWFDAJHIZMWIT-MLCCFXAWSA-N
MW284.52 g/mol
LogP4.86
Rot. Bonds6

About methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate

methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate (PubChem CID 135039673) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
PubChem CID135039673
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namemethyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC[C@H]1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h11-15H,8-10H2,1-7H3/t14-,15?/m0/s1
InChIKeyIZWFDAJHIZMWIT-MLCCFXAWSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.86
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

cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
trans-methyl (1S,2R)-2-(trihexylsilylmethyl)cyclobutane-1-carboxylate
CID 102370562
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101154653
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
CID 89108103
CID 89108103
methyl 2,3-difluorocyclopentane-1-carboxylate
CID 19077661
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate (CID 135039673) is methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate is COC(=O)C1CC[C@H]1C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate?
The InChIKey is IZWFDAJHIZMWIT-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h11-15H,8-10H2,1-7H3/t14-,15?/m0/s1.
What are the key properties of methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate?
methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate has a molecular weight of 284.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 135039673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).