[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate

C28H50O5Si — CID 15948769

IUPAC[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate
SMILESCC[Si](CC)(CC)O[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2C(C)=CC[C@@H]1C(C)C
InChIInChI=1S/C28H50O5Si/c1-10-34(11-2,12-3)33-28(9)16-15-23(31-20(7)29)27(8,30)17-22-24-19(6)13-14-21(18(4)5)25(24)26(28)32-22/h13,18,21-26,30H,10-12,14-17H2,1-9H3/t21-,22-,23+,24-,25-,26-,27+,28-/m1/s1
InChIKeyVYDHGINKWLXTSD-XQOQTTFGSA-N
MW494.79 g/mol
LogP6.26
Rot. Bonds7

About [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate

[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate (PubChem CID 15948769) has the molecular formula C28H50O5Si and a molecular weight of 494.79 g/mol. Its IUPAC name is [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate.

Molecular Properties

Compound Name[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate
PubChem CID15948769
Molecular FormulaC28H50O5Si
Molecular Weight494.79 g/mol
Exact Mass494.34
IUPAC Name[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate
SMILESCC[Si](CC)(CC)O[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2C(C)=CC[C@@H]1C(C)C
InChIInChI=1S/C28H50O5Si/c1-10-34(11-2,12-3)33-28(9)16-15-23(31-20(7)29)27(8,30)17-22-24-19(6)13-14-21(18(4)5)25(24)26(28)32-22/h13,18,21-26,30H,10-12,14-17H2,1-9H3/t21-,22-,23+,24-,25-,26-,27+,28-/m1/s1
InChIKeyVYDHGINKWLXTSD-XQOQTTFGSA-N
XLogP6.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate?
The IUPAC name of [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate (CID 15948769) is [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate.
What is the SMILES notation for [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate?
The canonical SMILES for [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate is CC[Si](CC)(CC)O[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2C(C)=CC[C@@H]1C(C)C.
What is the InChIKey of [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate?
The InChIKey is VYDHGINKWLXTSD-XQOQTTFGSA-N. The full InChI is InChI=1S/C28H50O5Si/c1-10-34(11-2,12-3)33-28(9)16-15-23(31-20(7)29)27(8,30)17-22-24-19(6)13-14-21(18(4)5)25(24)26(28)32-22/h13,18,21-26,30H,10-12,14-17H2,1-9H3/t21-,22-,23+,24-,25-,26-,27+,28-/m1/s1.
What are the key properties of [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate?
[(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate has a molecular weight of 494.79 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,7R,8R,10S,11S,14R)-10-hydroxy-6,10,14-trimethyl-3-propan-2-yl-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-11-yl] acetate is sourced from PubChem (CID 15948769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).