tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

C32H60O3Si — CID 10768316

IUPACtert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC(C)C)OC(C)C
InChIInChI=1S/C32H60O3Si/c1-25(2)17-14-18-28(7)19-15-21-30(31(34-26(3)4)35-27(5)6)22-16-20-29(8)23-24-33-36(12,13)32(9,10)11/h17,19,22-23,26-27,31H,14-16,18,20-21,24H2,1-13H3/b28-19+,29-23+,30-22-
InChIKeySMKGEAWHDRDIJJ-FJWXLGMGSA-N
MW520.92 g/mol
LogP10.31
Rot. Bonds17

About tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (PubChem CID 10768316) has the molecular formula C32H60O3Si and a molecular weight of 520.92 g/mol. Its IUPAC name is tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
PubChem CID10768316
Molecular FormulaC32H60O3Si
Molecular Weight520.92 g/mol
Exact Mass520.43
IUPAC Nametert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC(C)C)OC(C)C
InChIInChI=1S/C32H60O3Si/c1-25(2)17-14-18-28(7)19-15-21-30(31(34-26(3)4)35-27(5)6)22-16-20-29(8)23-24-33-36(12,13)32(9,10)11/h17,19,22-23,26-27,31H,14-16,18,20-21,24H2,1-13H3/b28-19+,29-23+,30-22-
InChIKeySMKGEAWHDRDIJJ-FJWXLGMGSA-N
XLogP10.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.92
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
CID 14657946
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(5Z,9E)-6-(dimethoxymethyl)-1,1-dimethoxy-10,14-dimethylpentadeca-5,9,13-trien-2-one
CID 19844979
3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 54333928
1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol
CID 173330564
1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
CID 101181765
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (CID 10768316) is tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC(C)C)OC(C)C.
What is the InChIKey of tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The InChIKey is SMKGEAWHDRDIJJ-FJWXLGMGSA-N. The full InChI is InChI=1S/C32H60O3Si/c1-25(2)17-14-18-28(7)19-15-21-30(31(34-26(3)4)35-27(5)6)22-16-20-29(8)23-24-33-36(12,13)32(9,10)11/h17,19,22-23,26-27,31H,14-16,18,20-21,24H2,1-13H3/b28-19+,29-23+,30-22-.
What are the key properties of tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane has a molecular weight of 520.92 g/mol, XLogP of 10.31, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 10768316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).