tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane

C26H46O2Si — CID 177406255

IUPACtert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
SMILESC=C(C)C1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O2Si/c1-19(2)22-17-16-21(4)14-11-13-20(3)15-12-18-26(8)24(27-26)23(22)28-29(9,10)25(5,6)7/h14-15,22-24H,1,11-13,16-18H2,2-10H3/b20-15+,21-14+/t22?,23-,24-,26-/m0/s1
InChIKeyFUNDGTHDAOIUKT-UILJGDAYSA-N
MW418.74 g/mol
LogP7.97
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane (PubChem CID 177406255) has the molecular formula C26H46O2Si and a molecular weight of 418.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
PubChem CID177406255
Molecular FormulaC26H46O2Si
Molecular Weight418.74 g/mol
Exact Mass418.33
IUPAC Nametert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
SMILESC=C(C)C1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O2Si/c1-19(2)22-17-16-21(4)14-11-13-20(3)15-12-18-26(8)24(27-26)23(22)28-29(9,10)25(5,6)7/h14-15,22-24H,1,11-13,16-18H2,2-10H3/b20-15+,21-14+/t22?,23-,24-,26-/m0/s1
InChIKeyFUNDGTHDAOIUKT-UILJGDAYSA-N
XLogP7.97
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.74
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane
CID 11302135
tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane
CID 13073171
Trimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 13074681
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 101396453
tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
CID 102374991
[(5E,9E)-12-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-yl] acetate
CID 134834148
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
CID 134942486
tert-butyl-dimethyl-[[(1R,3S,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-3-yl]oxy]silane
CID 162420072

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane (CID 177406255) is tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane is C=C(C)C1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane?
The InChIKey is FUNDGTHDAOIUKT-UILJGDAYSA-N. The full InChI is InChI=1S/C26H46O2Si/c1-19(2)22-17-16-21(4)14-11-13-20(3)15-12-18-26(8)24(27-26)23(22)28-29(9,10)25(5,6)7/h14-15,22-24H,1,11-13,16-18H2,2-10H3/b20-15+,21-14+/t22?,23-,24-,26-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane has a molecular weight of 418.74 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane is sourced from PubChem (CID 177406255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).