tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane

C26H48O3Si — CID 57058828

IUPACtert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
SMILESC=C(C)C(CCC(C)=CCCC(C)=CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-21(2)24(29-30(8,9)26(5,6)7)17-16-22(3)13-12-14-23(4)18-20-28-25-15-10-11-19-27-25/h13,18,24-25H,1,10-12,14-17,19-20H2,2-9H3
InChIKeyOHHIEULSRSIEBF-UHFFFAOYSA-N
MW436.75 g/mol
LogP7.95
Rot. Bonds12

About tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane

tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane (PubChem CID 57058828) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
PubChem CID57058828
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Nametert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
SMILESC=C(C)C(CCC(C)=CCCC(C)=CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-21(2)24(29-30(8,9)26(5,6)7)17-16-22(3)13-12-14-23(4)18-20-28-25-15-10-11-19-27-25/h13,18,24-25H,1,10-12,14-17,19-20H2,2-9H3
InChIKeyOHHIEULSRSIEBF-UHFFFAOYSA-N
XLogP7.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(E)-2-[2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]cyclohexen-1-yl]ethenyl]silane
CID 17756565
tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane
CID 53329190
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 134887217
hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane
CID 135076590
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
ethyl (2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trienoate
CID 15726403
triethyl-[(4E)-6-(methoxymethoxy)-4-methyl-7-(trimethylsilylmethyl)octa-4,7-dienoxy]silane
CID 101521916
[(Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enyl] acetate
CID 177516996
tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10791321
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane (CID 57058828) is tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane is C=C(C)C(CCC(C)=CCCC(C)=CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane?
The InChIKey is OHHIEULSRSIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-21(2)24(29-30(8,9)26(5,6)7)17-16-22(3)13-12-14-23(4)18-20-28-25-15-10-11-19-27-25/h13,18,24-25H,1,10-12,14-17,19-20H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane?
tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane has a molecular weight of 436.75 g/mol, XLogP of 7.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane is sourced from PubChem (CID 57058828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).