(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

C24H38O4Si — CID 102579494

IUPAC(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
SMILESC=C[C@H]1O[C@H]2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)CO[C@@]4(C)C(=O)[C@]1(C)[C@]2(C)[C@@H]34
InChIInChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16-,17+,18-,21-,22+,23-,24+/m1/s1
InChIKeyQUTGTGFEUHOQOF-QQBKYSCCSA-N
MW418.65 g/mol
LogP4.91
Rot. Bonds4

About (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (PubChem CID 102579494) has the molecular formula C24H38O4Si and a molecular weight of 418.65 g/mol. Its IUPAC name is (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.

Molecular Properties

Compound Name(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
PubChem CID102579494
Molecular FormulaC24H38O4Si
Molecular Weight418.65 g/mol
Exact Mass418.25
IUPAC Name(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
SMILESC=C[C@H]1O[C@H]2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)CO[C@@]4(C)C(=O)[C@]1(C)[C@]2(C)[C@@H]34
InChIInChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16-,17+,18-,21-,22+,23-,24+/m1/s1
InChIKeyQUTGTGFEUHOQOF-QQBKYSCCSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The IUPAC name of (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (CID 102579494) is (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.
What is the SMILES notation for (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The canonical SMILES for (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is C=C[C@H]1O[C@H]2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)CO[C@@]4(C)C(=O)[C@]1(C)[C@]2(C)[C@@H]34.
What is the InChIKey of (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The InChIKey is QUTGTGFEUHOQOF-QQBKYSCCSA-N. The full InChI is InChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16-,17+,18-,21-,22+,23-,24+/m1/s1.
What are the key properties of (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
(1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one has a molecular weight of 418.65 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7S,9R,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is sourced from PubChem (CID 102579494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).