triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane

C22H36O5Si — CID 11625669

IUPACtriethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@]12CCC=C1C=CC[C@@]1(OC)[C@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C22H36O5Si/c1-7-28(8-2,9-3)27-21-14-10-12-16(21)13-11-15-22(23-6)17-18(24-19(21)22)26-20(4,5)25-17/h11-13,17-19H,7-10,14-15H2,1-6H3/t17-,18+,19-,21+,22-/m0/s1
InChIKeyKXFUWRQTRCRWCJ-KAHCOFSNSA-N
MW408.61 g/mol
LogP4.69
Rot. Bonds6

About triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane

triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane (PubChem CID 11625669) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane
PubChem CID11625669
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Nametriethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@]12CCC=C1C=CC[C@@]1(OC)[C@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C22H36O5Si/c1-7-28(8-2,9-3)27-21-14-10-12-16(21)13-11-15-22(23-6)17-18(24-19(21)22)26-20(4,5)25-17/h11-13,17-19H,7-10,14-15H2,1-6H3/t17-,18+,19-,21+,22-/m0/s1
InChIKeyKXFUWRQTRCRWCJ-KAHCOFSNSA-N
XLogP4.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane with MolForge

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Related Compounds

[(3'aR,5R,6'R,6'aR)-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-tert-butyl-dimethylsilane
CID 46928637
tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
CID 101154491
tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 134983517
3-[(3aR,5R,6R,6aR)-6-[(Z)-but-2-enyl]-6-methoxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]hept-6-en-1-yn-3-yloxy-triethylsilane
CID 162401107
[(3R)-3-[(3aR,5R,6R,6aR)-6-[(Z)-but-2-enyl]-6-methoxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]hept-6-en-1-yn-3-yl]oxy-triethylsilane
CID 11518061
[(1S)-1-[(4R,5S)-5-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 25107879
[(1R)-1-[(4R,5S)-5-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 25107880
(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol
CID 101154492
tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
CID 101154493
tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane
CID 101154494
tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane
CID 101154497
[(3aS,4R,6R,6aR)-4-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 101670639

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane?
The IUPAC name of triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane (CID 11625669) is triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane?
The canonical SMILES for triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane is CC[Si](CC)(CC)O[C@]12CCC=C1C=CC[C@@]1(OC)[C@H]2O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane?
The InChIKey is KXFUWRQTRCRWCJ-KAHCOFSNSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-7-28(8-2,9-3)27-21-14-10-12-16(21)13-11-15-22(23-6)17-18(24-19(21)22)26-20(4,5)25-17/h11-13,17-19H,7-10,14-15H2,1-6H3/t17-,18+,19-,21+,22-/m0/s1.
What are the key properties of triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane?
triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane has a molecular weight of 408.61 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1R,2R,10R,11R,15R)-10-methoxy-13,13-dimethyl-12,14,16-trioxatetracyclo[8.6.0.02,6.011,15]hexadeca-5,7-dien-2-yl]oxy]silane is sourced from PubChem (CID 11625669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).