(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol

C21H40O2Si — CID 135082484

IUPAC(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol
SMILESCC(C)=CCC/C(C)=C/CC(O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,13,15,20,22H,10,12,14,16H2,1-9H3/b18-13+,19-15+
InChIKeyROCNAALIGNOJEF-HQSZAHFGSA-N
MW352.64 g/mol
LogP6.40
Rot. Bonds9

About (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol

(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol (PubChem CID 135082484) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol.

Molecular Properties

Compound Name(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol
PubChem CID135082484
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol
SMILESCC(C)=CCC/C(C)=C/CC(O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,13,15,20,22H,10,12,14,16H2,1-9H3/b18-13+,19-15+
InChIKeyROCNAALIGNOJEF-HQSZAHFGSA-N
XLogP6.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.40
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 (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol with MolForge

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Related Compounds

Crinitol
CID 6441081
(2E,6E,10E,13S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,13-diol
CID 6443625
Hydroxysqualene
CID 42599899
(R)-12-hydroxysqualene
CID 92136125
(2E,6E,10E,12R)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol
CID 21777913
Geranylnerol
CID 70359001
(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol
CID 10018055
Elegandiol
CID 21778307
(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol
CID 163018725
(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-ol
CID 11959961
(2E,6E,9S,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
CID 44559896
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol?
The IUPAC name of (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol (CID 135082484) is (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol.
What is the SMILES notation for (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol?
The canonical SMILES for (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol is CC(C)=CCC/C(C)=C/CC(O)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol?
The InChIKey is ROCNAALIGNOJEF-HQSZAHFGSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,13,15,20,22H,10,12,14,16H2,1-9H3/b18-13+,19-15+.
What are the key properties of (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol?
(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol has a molecular weight of 352.64 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol is sourced from PubChem (CID 135082484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).