tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane

C18H30O4Si — CID 10497252

IUPACtert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3CC=C4CO[C@H]1[C@@H]4[C@@H]32
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6,12-17H,7-10H2,1-5H3/t12-,13+,14-,15+,16+,17-/m0/s1
InChIKeyMWTBEBRWYYBKAM-OIBBZDHESA-N
MW338.52 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane (PubChem CID 10497252) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
PubChem CID10497252
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3CC=C4CO[C@H]1[C@@H]4[C@@H]32
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6,12-17H,7-10H2,1-5H3/t12-,13+,14-,15+,16+,17-/m0/s1
InChIKeyMWTBEBRWYYBKAM-OIBBZDHESA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.34
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 tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane with MolForge

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Related Compounds

tert-butyl-[[(1R,2S,6S,8R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 135003162
2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 135011424
(1R,4S,10R,12S,13R,14R)-12-methyl-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-ene
CID 10584482
(1R,7R,10R,12S,13S,14S)-12-methyl-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-ene
CID 10679881
tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
CID 10521007
tert-butyl-[[(1R,2R,3S,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 10594183
tert-butyl-dimethyl-[[(1S,4R,10S,12R,13S,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-en-12-yl]methoxy]silane
CID 10712080
tert-butyl-dimethyl-[[(1S,10S,12R,13R,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradeca-4,6-dien-12-yl]methoxy]silane
CID 10735626
tert-butyl-dimethyl-[[(1R,2R,3R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 10785152
[(3aR,6R,7S,7aR)-6-[[(1R,2Z,4S,5R,9R,11S,12S)-11-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 10952508
[(3aS,6S,7R,7aS)-6-[[(1R,2Z,4S,5R,9R,11S,12S)-11-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 10974419
[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol
CID 11121844

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane (CID 10497252) is tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3CC=C4CO[C@H]1[C@@H]4[C@@H]32.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane?
The InChIKey is MWTBEBRWYYBKAM-OIBBZDHESA-N. The full InChI is InChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6,12-17H,7-10H2,1-5H3/t12-,13+,14-,15+,16+,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane has a molecular weight of 338.52 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane is sourced from PubChem (CID 10497252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).