(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol

C22H42O2Si — CID 21242270

IUPAC(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C/C(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-17(2)21(24-25(9,10)22(6,7)8)15-14-18(3)12-11-13-19(4)16-20(5)23/h12,16,20-21,23H,1,11,13-15H2,2-10H3/b18-12+,19-16+
InChIKeyRTNKJYRTNTUUKI-WBLKYFKXSA-N
MW366.66 g/mol
LogP6.79
Rot. Bonds10

About (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol

(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol (PubChem CID 21242270) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol.

Molecular Properties

Compound Name(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol
PubChem CID21242270
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C/C(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-17(2)21(24-25(9,10)22(6,7)8)15-14-18(3)12-11-13-19(4)16-20(5)23/h12,16,20-21,23H,1,11,13-15H2,2-10H3/b18-12+,19-16+
InChIKeyRTNKJYRTNTUUKI-WBLKYFKXSA-N
XLogP6.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.79
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol?
The IUPAC name of (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol (CID 21242270) is (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol.
What is the SMILES notation for (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol?
The canonical SMILES for (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol is C=C(C)C(CC/C(C)=C/CC/C(C)=C/C(C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol?
The InChIKey is RTNKJYRTNTUUKI-WBLKYFKXSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-17(2)21(24-25(9,10)22(6,7)8)15-14-18(3)12-11-13-19(4)16-20(5)23/h12,16,20-21,23H,1,11,13-15H2,2-10H3/b18-12+,19-16+.
What are the key properties of (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol?
(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol has a molecular weight of 366.66 g/mol, XLogP of 6.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-ol is sourced from PubChem (CID 21242270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).