trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol

C17H36O2Si — CID 146018982

IUPACtrans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCCCC[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-9-8-10-16-12-17(16,7)18/h13-16,18H,8-12H2,1-7H3/t16-,17-/m1/s1
InChIKeyCSHFRXQHDRGOHR-IAGOWNOFSA-N
MW300.56 g/mol
LogP5.12
Rot. Bonds9

About trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol

trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol (PubChem CID 146018982) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol
PubChem CID146018982
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Nametrans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCCCC[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-9-8-10-16-12-17(16,7)18/h13-16,18H,8-12H2,1-7H3/t16-,17-/m1/s1
InChIKeyCSHFRXQHDRGOHR-IAGOWNOFSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol?
The IUPAC name of trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol (CID 146018982) is trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol is CC(C)[Si](OCCCC[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C.
What is the InChIKey of trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol?
The InChIKey is CSHFRXQHDRGOHR-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-9-8-10-16-12-17(16,7)18/h13-16,18H,8-12H2,1-7H3/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol?
trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol has a molecular weight of 300.56 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]cyclopropan-1-ol is sourced from PubChem (CID 146018982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).