(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

C18H24O6Si — CID 134954411

IUPAC(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@@H]1C(=O)C=C2C13CC(=O)OC(C3)C1(O[Si](C)(C)C)C(=O)OCC21C
InChIInChI=1S/C18H24O6Si/c1-10-11(19)6-12-16(2)9-22-15(21)18(16,24-25(3,4)5)13-7-17(10,12)8-14(20)23-13/h6,10,13H,7-9H2,1-5H3/t10-,13?,16?,17?,18?/m1/s1
InChIKeyYYJURGIUJVERJW-GKOYDRGQSA-N
MW364.47 g/mol
LogP1.99
Rot. Bonds2

About (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (PubChem CID 134954411) has the molecular formula C18H24O6Si and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.

Molecular Properties

Compound Name(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
PubChem CID134954411
Molecular FormulaC18H24O6Si
Molecular Weight364.47 g/mol
Exact Mass364.13
IUPAC Name(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@@H]1C(=O)C=C2C13CC(=O)OC(C3)C1(O[Si](C)(C)C)C(=O)OCC21C
InChIInChI=1S/C18H24O6Si/c1-10-11(19)6-12-16(2)9-22-15(21)18(16,24-25(3,4)5)13-7-17(10,12)8-14(20)23-13/h6,10,13H,7-9H2,1-5H3/t10-,13?,16?,17?,18?/m1/s1
InChIKeyYYJURGIUJVERJW-GKOYDRGQSA-N
XLogP1.99
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The IUPAC name of (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (CID 134954411) is (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.
What is the SMILES notation for (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The canonical SMILES for (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is C[C@@H]1C(=O)C=C2C13CC(=O)OC(C3)C1(O[Si](C)(C)C)C(=O)OCC21C.
What is the InChIKey of (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The InChIKey is YYJURGIUJVERJW-GKOYDRGQSA-N. The full InChI is InChI=1S/C18H24O6Si/c1-10-11(19)6-12-16(2)9-22-15(21)18(16,24-25(3,4)5)13-7-17(10,12)8-14(20)23-13/h6,10,13H,7-9H2,1-5H3/t10-,13?,16?,17?,18?/m1/s1.
What are the key properties of (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
(2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione has a molecular weight of 364.47 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-dimethyl-10-trimethylsilyloxy-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is sourced from PubChem (CID 134954411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).