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

C21H40O2Si — CID 21242311

IUPAC(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15,20,22H,1,10,12-14,16H2,2-9H3/b18-11+,19-15+
InChIKeyKMHYEABIWDGWCZ-CFBAGHHKSA-N
MW352.64 g/mol
LogP6.40
Rot. Bonds10

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

(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol (PubChem CID 21242311) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol.

Molecular Properties

Compound Name(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol
PubChem CID21242311
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15,20,22H,1,10,12-14,16H2,2-9H3/b18-11+,19-15+
InChIKeyKMHYEABIWDGWCZ-CFBAGHHKSA-N
XLogP6.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol?
The IUPAC name of (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol (CID 21242311) is (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol.
What is the SMILES notation for (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol?
The canonical SMILES for (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol is C=C(C)C(CC/C(C)=C/CC/C(C)=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol?
The InChIKey is KMHYEABIWDGWCZ-CFBAGHHKSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15,20,22H,1,10,12-14,16H2,2-9H3/b18-11+,19-15+.
What are the key properties of (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol?
(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol has a molecular weight of 352.64 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol is sourced from PubChem (CID 21242311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).