(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol

C15H28O4Si — CID 11358509

IUPAC(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol
SMILESCC1([Si](C)(C)C)O[C@@H]2C[C@@H]3OCCC[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C15H28O4Si/c1-15(20(2,3)4)14(16)9-12-13(19-15)8-11-10(18-12)6-5-7-17-11/h10-14,16H,5-9H2,1-4H3/t10-,11+,12+,13-,14-,15?/m1/s1
InChIKeyWEBSMRSEYCROFT-VGSCMHHQSA-N
MW300.47 g/mol
LogP2.11
Rot. Bonds1

About (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol

(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol (PubChem CID 11358509) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol.

Molecular Properties

Compound Name(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol
PubChem CID11358509
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol
SMILESCC1([Si](C)(C)C)O[C@@H]2C[C@@H]3OCCC[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C15H28O4Si/c1-15(20(2,3)4)14(16)9-12-13(19-15)8-11-10(18-12)6-5-7-17-11/h10-14,16H,5-9H2,1-4H3/t10-,11+,12+,13-,14-,15?/m1/s1
InChIKeyWEBSMRSEYCROFT-VGSCMHHQSA-N
XLogP2.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol?
The IUPAC name of (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol (CID 11358509) is (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol.
What is the SMILES notation for (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol?
The canonical SMILES for (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol is CC1([Si](C)(C)C)O[C@@H]2C[C@@H]3OCCC[C@H]3O[C@H]2C[C@H]1O.
What is the InChIKey of (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol?
The InChIKey is WEBSMRSEYCROFT-VGSCMHHQSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(20(2,3)4)14(16)9-12-13(19-15)8-11-10(18-12)6-5-7-17-11/h10-14,16H,5-9H2,1-4H3/t10-,11+,12+,13-,14-,15?/m1/s1.
What are the key properties of (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol?
(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol has a molecular weight of 300.47 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol is sourced from PubChem (CID 11358509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).