(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol

C15H28O4Si — CID 11702168

IUPAC(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol
SMILESC=C[C@@H]1OC(O)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]12
InChIInChI=1S/C15H28O4Si/c1-8-10-11-12(19-11)15(5,13(16)18-10)9-17-20(6,7)14(2,3)4/h8,10-13,16H,1,9H2,2-7H3/t10-,11-,12-,13?,15-/m0/s1
InChIKeyONSDKCGRNNFNGJ-ZKPOWSKJSA-N
MW300.47 g/mol
LogP2.69
Rot. Bonds4

About (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol

(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol (PubChem CID 11702168) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol.

Molecular Properties

Compound Name(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol
PubChem CID11702168
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol
SMILESC=C[C@@H]1OC(O)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]12
InChIInChI=1S/C15H28O4Si/c1-8-10-11-12(19-11)15(5,13(16)18-10)9-17-20(6,7)14(2,3)4/h8,10-13,16H,1,9H2,2-7H3/t10-,11-,12-,13?,15-/m0/s1
InChIKeyONSDKCGRNNFNGJ-ZKPOWSKJSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol?
The IUPAC name of (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol (CID 11702168) is (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol.
What is the SMILES notation for (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol?
The canonical SMILES for (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol is C=C[C@@H]1OC(O)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]12.
What is the InChIKey of (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol?
The InChIKey is ONSDKCGRNNFNGJ-ZKPOWSKJSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-10-11-12(19-11)15(5,13(16)18-10)9-17-20(6,7)14(2,3)4/h8,10-13,16H,1,9H2,2-7H3/t10-,11-,12-,13?,15-/m0/s1.
What are the key properties of (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol?
(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol has a molecular weight of 300.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol is sourced from PubChem (CID 11702168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).