trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane

C26H42O3Si2 — CID 22842971

IUPACtrimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C=C(O[Si](C)(C)C)C5C[C@@]43CCO5)[C@@H]1CC=C2O[Si](C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-25-13-12-21-19(20(25)10-11-24(25)29-31(5,6)7)9-8-18-16-22(28-30(2,3)4)23-17-26(18,21)14-15-27-23/h8,11,16,19-21,23H,9-10,12-15,17H2,1-7H3/t19-,20-,21-,23?,25-,26-/m0/s1
InChIKeyODEWCDHOYVDJAH-CDKMIBGMSA-N
MW458.79 g/mol
LogP7.02
Rot. Bonds4

About trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane

trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane (PubChem CID 22842971) has the molecular formula C26H42O3Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane
PubChem CID22842971
Molecular FormulaC26H42O3Si2
Molecular Weight458.79 g/mol
Exact Mass458.27
IUPAC Nametrimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C=C(O[Si](C)(C)C)C5C[C@@]43CCO5)[C@@H]1CC=C2O[Si](C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-25-13-12-21-19(20(25)10-11-24(25)29-31(5,6)7)9-8-18-16-22(28-30(2,3)4)23-17-26(18,21)14-15-27-23/h8,11,16,19-21,23H,9-10,12-15,17H2,1-7H3/t19-,20-,21-,23?,25-,26-/m0/s1
InChIKeyODEWCDHOYVDJAH-CDKMIBGMSA-N
XLogP7.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane (CID 22842971) is trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane is C[C@]12CC[C@H]3[C@@H](CC=C4C=C(O[Si](C)(C)C)C5C[C@@]43CCO5)[C@@H]1CC=C2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane?
The InChIKey is ODEWCDHOYVDJAH-CDKMIBGMSA-N. The full InChI is InChI=1S/C26H42O3Si2/c1-25-13-12-21-19(20(25)10-11-24(25)29-31(5,6)7)9-8-18-16-22(28-30(2,3)4)23-17-26(18,21)14-15-27-23/h8,11,16,19-21,23H,9-10,12-15,17H2,1-7H3/t19-,20-,21-,23?,25-,26-/m0/s1.
What are the key properties of trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane?
trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane has a molecular weight of 458.79 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,2S,5S,9S,10R)-5-methyl-6-trimethylsilyloxy-17-oxapentacyclo[14.3.1.01,13.02,10.05,9]icosa-6,12,14-trien-15-yl]oxy]silane is sourced from PubChem (CID 22842971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).