3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

C23H44O2Si — CID 54333928

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22,24H,10-11,13,15-17H2,1-9H3
InChIKeyTUCPOHIWNUFJOY-UHFFFAOYSA-N
MW380.69 g/mol
LogP7.18
Rot. Bonds11

About 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (PubChem CID 54333928) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
PubChem CID54333928
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22,24H,10-11,13,15-17H2,1-9H3
InChIKeyTUCPOHIWNUFJOY-UHFFFAOYSA-N
XLogP7.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-4-en-8-ynal
CID 132503854
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
CID 101181765
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
[(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 132535606
tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10768316
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (CID 54333928) is 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=CC(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The InChIKey is TUCPOHIWNUFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-19(2)12-10-13-20(3)14-11-15-21(4)18-22(16-17-24)25-26(8,9)23(5,6)7/h12,14,18,22,24H,10-11,13,15-17H2,1-9H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol has a molecular weight of 380.69 g/mol, XLogP of 7.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 54333928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).