methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate

C16H32O2Si — CID 135039600

IUPACmethyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H]([Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)15-9-8-14(10-15)16(17)18-7/h11-15H,8-10H2,1-7H3/t14?,15-/m1/s1
InChIKeyIWCSLBZIVKLNGX-YSSOQSIOSA-N
MW284.52 g/mol
LogP5.01
Rot. Bonds5

About methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate

methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate (PubChem CID 135039600) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate
PubChem CID135039600
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namemethyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H]([Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)15-9-8-14(10-15)16(17)18-7/h11-15H,8-10H2,1-7H3/t14?,15-/m1/s1
InChIKeyIWCSLBZIVKLNGX-YSSOQSIOSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate?
The IUPAC name of methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate (CID 135039600) is methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate is COC(=O)C1CC[C@@H]([Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate?
The InChIKey is IWCSLBZIVKLNGX-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-11(2)19(12(3)4,13(5)6)15-9-8-14(10-15)16(17)18-7/h11-15H,8-10H2,1-7H3/t14?,15-/m1/s1.
What are the key properties of methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate?
methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate has a molecular weight of 284.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate is sourced from PubChem (CID 135039600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).