(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol

C26H44O2Si — CID 11611415

IUPAC(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H44O2Si/c1-20(12-11-13-21(2)16-17-27)14-15-24-22(3)18-23(19-26(24,7)8)28-29(9,10)25(4,5)6/h11-16,23,27H,17-19H2,1-10H3/b13-11+,15-14+,20-12+,21-16+/t23-/m1/s1
InChIKeyBYRGLQBPUCIMQL-BENCPEETSA-N
MW416.72 g/mol
LogP7.51
Rot. Bonds7

About (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol

(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol (PubChem CID 11611415) has the molecular formula C26H44O2Si and a molecular weight of 416.72 g/mol. Its IUPAC name is (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol.

Molecular Properties

Compound Name(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
PubChem CID11611415
Molecular FormulaC26H44O2Si
Molecular Weight416.72 g/mol
Exact Mass416.31
IUPAC Name(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H44O2Si/c1-20(12-11-13-21(2)16-17-27)14-15-24-22(3)18-23(19-26(24,7)8)28-29(9,10)25(4,5)6/h11-16,23,27H,17-19H2,1-10H3/b13-11+,15-14+,20-12+,21-16+/t23-/m1/s1
InChIKeyBYRGLQBPUCIMQL-BENCPEETSA-N
XLogP7.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 57.51
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'}

Analyze (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 5287502
(1R)-4-[(1E,3E,5Z,7Z,9Z,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The IUPAC name of (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol (CID 11611415) is (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol.
What is the SMILES notation for (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The canonical SMILES for (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The InChIKey is BYRGLQBPUCIMQL-BENCPEETSA-N. The full InChI is InChI=1S/C26H44O2Si/c1-20(12-11-13-21(2)16-17-27)14-15-24-22(3)18-23(19-26(24,7)8)28-29(9,10)25(4,5)6/h11-16,23,27H,17-19H2,1-10H3/b13-11+,15-14+,20-12+,21-16+/t23-/m1/s1.
What are the key properties of (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
(2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol has a molecular weight of 416.72 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol is sourced from PubChem (CID 11611415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).