trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

C17H36O2Si — CID 15267237

IUPACtrans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[C@@]1(O)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)17(18)11-16(17)9-10-19-20(13(3)4,14(5)6)15(7)8/h12-16,18H,9-11H2,1-8H3/t16-,17+/m1/s1
InChIKeyPNBLGMKAXYJPRX-SJORKVTESA-N
MW300.56 g/mol
LogP4.98
Rot. Bonds8

About trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 15267237) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID15267237
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Nametrans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[C@@]1(O)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)17(18)11-16(17)9-10-19-20(13(3)4,14(5)6)15(7)8/h12-16,18H,9-11H2,1-8H3/t16-,17+/m1/s1
InChIKeyPNBLGMKAXYJPRX-SJORKVTESA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
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 trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 15267237) is trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[C@@]1(O)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is PNBLGMKAXYJPRX-SJORKVTESA-N. The full InChI is InChI=1S/C17H36O2Si/c1-12(2)17(18)11-16(17)9-10-19-20(13(3)4,14(5)6)15(7)8/h12-16,18H,9-11H2,1-8H3/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 300.56 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 15267237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).