(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol

C15H24O2Si — CID 172571310

IUPAC(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESCC(C)[C@]12C[C@@H](O)[C@](C)(C=C1C#C[Si](C)(C)C)O2
InChIInChI=1S/C15H24O2Si/c1-11(2)15-10-13(16)14(3,17-15)9-12(15)7-8-18(4,5)6/h9,11,13,16H,10H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyIMZANBZTWNULMM-QLFBSQMISA-N
MW264.44 g/mol
LogP2.74
Rot. Bonds1

About (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol

(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 172571310) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
PubChem CID172571310
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESCC(C)[C@]12C[C@@H](O)[C@](C)(C=C1C#C[Si](C)(C)C)O2
InChIInChI=1S/C15H24O2Si/c1-11(2)15-10-13(16)14(3,17-15)9-12(15)7-8-18(4,5)6/h9,11,13,16H,10H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyIMZANBZTWNULMM-QLFBSQMISA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol with MolForge

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Related Compounds

(1S,2R,4R)-5-ethynyl-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 172571436
tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 172571514
(1S,2R,4R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 172571659
(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 10727083
(E)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-en-1-ol
CID 102371781

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol (CID 172571310) is (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol is CC(C)[C@]12C[C@@H](O)[C@](C)(C=C1C#C[Si](C)(C)C)O2.
What is the InChIKey of (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is IMZANBZTWNULMM-QLFBSQMISA-N. The full InChI is InChI=1S/C15H24O2Si/c1-11(2)15-10-13(16)14(3,17-15)9-12(15)7-8-18(4,5)6/h9,11,13,16H,10H2,1-6H3/t13-,14+,15-/m1/s1.
What are the key properties of (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 264.44 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 172571310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).