(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione

C18H26O4Si — CID 10496967

IUPAC(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
SMILESC=CC[C@@H]1OC(=O)[C@H]2[C@H]3C(=O)O[C@H](CC=C)[C@H]3C([Si](C)(C)C)[C@H]21
InChIInChI=1S/C18H26O4Si/c1-6-8-10-12-14(17(19)21-10)15-13(16(12)23(3,4)5)11(9-7-2)22-18(15)20/h6-7,10-16H,1-2,8-9H2,3-5H3/t10-,11+,12-,13+,14+,15-,16?
InChIKeyODDBZYQUUSCXCK-OEGSFHDBSA-N
MW334.49 g/mol
LogP3.18
Rot. Bonds5

About (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione

(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione (PubChem CID 10496967) has the molecular formula C18H26O4Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione.

Molecular Properties

Compound Name(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
PubChem CID10496967
Molecular FormulaC18H26O4Si
Molecular Weight334.49 g/mol
Exact Mass334.16
IUPAC Name(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
SMILESC=CC[C@@H]1OC(=O)[C@H]2[C@H]3C(=O)O[C@H](CC=C)[C@H]3C([Si](C)(C)C)[C@H]21
InChIInChI=1S/C18H26O4Si/c1-6-8-10-12-14(17(19)21-10)15-13(16(12)23(3,4)5)11(9-7-2)22-18(15)20/h6-7,10-16H,1-2,8-9H2,3-5H3/t10-,11+,12-,13+,14+,15-,16?
InChIKeyODDBZYQUUSCXCK-OEGSFHDBSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.18
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,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione with MolForge

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Related Compounds

(3aR,4S,6aS)-6,6-dimethyl-4-[(1S,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-3-prop-2-enyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 135068734
CID 178270085
CID 178270085
CID 178270088
CID 178270088
(1S,2R,6R,7R,8S)-2-but-3-enyl-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undecane-4,9-dione
CID 11440821
methyl (3aR,4S,5S,6aR)-4-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-carboxylate
CID 70524788
(1S,2R,6R,7S,8S)-2-but-3-enyl-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undecane-4,9-dione
CID 91867434
(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
CID 10491712
(1S,2R,5S,6R,8S)-5-prop-2-enyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
CID 10775385
(3S,3aS,4R,6aR)-6,6-dimethyl-3-prop-2-enyl-4-[(1S)-1-triethylsilyloxybut-3-enyl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10904960
(3S,3aS,4R,6aR)-6,6-dimethyl-3-prop-2-enyl-4-[(1R)-1-triethylsilyloxybut-3-enyl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11003370
(3aR,4R,6aR)-6,6-dimethyl-4-[(1R)-1-triethylsilyloxybut-3-enyl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11056887
(3S,3aS,4R,6aR)-6,6-dimethyl-4-[(1R,2S)-2-methyl-1-triethylsilyloxybut-3-enyl]-3-prop-2-enyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11372786

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The IUPAC name of (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione (CID 10496967) is (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione.
What is the SMILES notation for (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The canonical SMILES for (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione is C=CC[C@@H]1OC(=O)[C@H]2[C@H]3C(=O)O[C@H](CC=C)[C@H]3C([Si](C)(C)C)[C@H]21.
What is the InChIKey of (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The InChIKey is ODDBZYQUUSCXCK-OEGSFHDBSA-N. The full InChI is InChI=1S/C18H26O4Si/c1-6-8-10-12-14(17(19)21-10)15-13(16(12)23(3,4)5)11(9-7-2)22-18(15)20/h6-7,10-16H,1-2,8-9H2,3-5H3/t10-,11+,12-,13+,14+,15-,16?.
What are the key properties of (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione has a molecular weight of 334.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione is sourced from PubChem (CID 10496967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).