methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate

C17H32O3Si — CID 10979897

IUPACmethyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-17-10-8-9-14(17)15(17)16(18)19-7/h11-15H,8-10H2,1-7H3/t14-,15+,17+/m1/s1
InChIKeyPTNXJVZUOIJGOZ-VYDXJSESSA-N
MW312.53 g/mol
LogP4.52
Rot. Bonds6

About methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate

methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 10979897) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID10979897
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-17-10-8-9-14(17)15(17)16(18)19-7/h11-15H,8-10H2,1-7H3/t14-,15+,17+/m1/s1
InChIKeyPTNXJVZUOIJGOZ-VYDXJSESSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate (CID 10979897) is methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@@H]1[C@H]2CCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is PTNXJVZUOIJGOZ-VYDXJSESSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-17-10-8-9-14(17)15(17)16(18)19-7/h11-15H,8-10H2,1-7H3/t14-,15+,17+/m1/s1.
What are the key properties of methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 10979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).