(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one

C22H38O2Si — CID 11360466

IUPAC(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one
SMILESC[C@@H]1CC=C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]3CCC[C@@]31C2=O
InChIInChI=1S/C22H38O2Si/c1-16-9-7-10-18-13-17(15-24-25(5,6)21(2,3)4)14-19-11-8-12-22(16,19)20(18)23/h7,10,16-19H,8-9,11-15H2,1-6H3/t16-,17+,18-,19+,22+/m1/s1
InChIKeyMQGFOULMTRJZAB-CMXRIWHBSA-N
MW362.63 g/mol
LogP5.99
Rot. Bonds3

About (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one

(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one (PubChem CID 11360466) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one.

Molecular Properties

Compound Name(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one
PubChem CID11360466
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one
SMILESC[C@@H]1CC=C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]3CCC[C@@]31C2=O
InChIInChI=1S/C22H38O2Si/c1-16-9-7-10-18-13-17(15-24-25(5,6)21(2,3)4)14-19-11-8-12-22(16,19)20(18)23/h7,10,16-19H,8-9,11-15H2,1-6H3/t16-,17+,18-,19+,22+/m1/s1
InChIKeyMQGFOULMTRJZAB-CMXRIWHBSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 55.99
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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one?
The IUPAC name of (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one (CID 11360466) is (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one.
What is the SMILES notation for (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one?
The canonical SMILES for (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one is C[C@@H]1CC=C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]3CCC[C@@]31C2=O.
What is the InChIKey of (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one?
The InChIKey is MQGFOULMTRJZAB-CMXRIWHBSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-16-9-7-10-18-13-17(15-24-25(5,6)21(2,3)4)14-19-11-8-12-22(16,19)20(18)23/h7,10,16-19H,8-9,11-15H2,1-6H3/t16-,17+,18-,19+,22+/m1/s1.
What are the key properties of (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one?
(1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one has a molecular weight of 362.63 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R,9S,13R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyltricyclo[7.4.1.01,5]tetradec-10-en-14-one is sourced from PubChem (CID 11360466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).