(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one

C27H46O2Si — CID 160949022

IUPAC(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one
SMILESCC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]2C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C27H46O2Si/c1-15-12-19-17(3)18(4)23(29-30(10,11)25(5,6)7)21-22-20(26(22,8)9)13-16(2)27(19,14-15)24(21)28/h14,16-23H,12-13H2,1-11H3/t16-,17-,18-,19+,20-,21-,22-,23-,27-/m1/s1
InChIKeySEIXNNWEZYWESR-VOMSUEGZSA-N
MW430.75 g/mol
LogP7.11
Rot. Bonds2

About (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one

(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one (PubChem CID 160949022) has the molecular formula C27H46O2Si and a molecular weight of 430.75 g/mol. Its IUPAC name is (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one.

Molecular Properties

Compound Name(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one
PubChem CID160949022
Molecular FormulaC27H46O2Si
Molecular Weight430.75 g/mol
Exact Mass430.33
IUPAC Name(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one
SMILESCC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]2C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C27H46O2Si/c1-15-12-19-17(3)18(4)23(29-30(10,11)25(5,6)7)21-22-20(26(22,8)9)13-16(2)27(19,14-15)24(21)28/h14,16-23H,12-13H2,1-11H3/t16-,17-,18-,19+,20-,21-,22-,23-,27-/m1/s1
InChIKeySEIXNNWEZYWESR-VOMSUEGZSA-N
XLogP7.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one?
The IUPAC name of (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one (CID 160949022) is (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one.
What is the SMILES notation for (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one?
The canonical SMILES for (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one is CC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]2C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C.
What is the InChIKey of (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one?
The InChIKey is SEIXNNWEZYWESR-VOMSUEGZSA-N. The full InChI is InChI=1S/C27H46O2Si/c1-15-12-19-17(3)18(4)23(29-30(10,11)25(5,6)7)21-22-20(26(22,8)9)13-16(2)27(19,14-15)24(21)28/h14,16-23H,12-13H2,1-11H3/t16-,17-,18-,19+,20-,21-,22-,23-,27-/m1/s1.
What are the key properties of (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one?
(1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one has a molecular weight of 430.75 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,7,11,11,14-hexamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-en-15-one is sourced from PubChem (CID 160949022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).