(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol

C23H46O2Si — CID 11783915

IUPAC(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\[C@@H](C)[C@@H](CC[C@@H](C)CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si/c1-18(2)16-20(4)13-14-22(25-26(9,10)23(6,7)8)21(5)17-19(3)12-11-15-24/h11-12,17-18,20-22,24H,13-16H2,1-10H3/b12-11+,19-17+/t20-,21-,22-/m1/s1
InChIKeyVOVUYZXNMUYXPL-JDHSMIBGSA-N
MW382.71 g/mol
LogP6.97
Rot. Bonds11

About (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol

(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol (PubChem CID 11783915) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol
PubChem CID11783915
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Name(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\[C@@H](C)[C@@H](CC[C@@H](C)CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si/c1-18(2)16-20(4)13-14-22(25-26(9,10)23(6,7)8)21(5)17-19(3)12-11-15-24/h11-12,17-18,20-22,24H,13-16H2,1-10H3/b12-11+,19-17+/t20-,21-,22-/m1/s1
InChIKeyVOVUYZXNMUYXPL-JDHSMIBGSA-N
XLogP6.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol?
The IUPAC name of (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol (CID 11783915) is (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol?
The canonical SMILES for (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol is CC(/C=C/CO)=C\[C@@H](C)[C@@H](CC[C@@H](C)CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol?
The InChIKey is VOVUYZXNMUYXPL-JDHSMIBGSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-18(2)16-20(4)13-14-22(25-26(9,10)23(6,7)8)21(5)17-19(3)12-11-15-24/h11-12,17-18,20-22,24H,13-16H2,1-10H3/b12-11+,19-17+/t20-,21-,22-/m1/s1.
What are the key properties of (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol?
(2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol has a molecular weight of 382.71 g/mol, XLogP of 6.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R,7R,10R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dien-1-ol is sourced from PubChem (CID 11783915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).