(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol

C18H36O2Si — CID 11738487

IUPAC(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol
SMILESCC(/C=C/C[C@@H](C)CO)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-15(10-9-11-16(2)13-19)12-17(3)14-20-21(7,8)18(4,5)6/h9-10,12,16-17,19H,11,13-14H2,1-8H3/b10-9+,15-12+/t16-,17-/m1/s1
InChIKeyDIUQLJHKNIYBIY-ZABCLQKFSA-N
MW312.57 g/mol
LogP5.17
Rot. Bonds8

About (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol

(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol (PubChem CID 11738487) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol.

Molecular Properties

Compound Name(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol
PubChem CID11738487
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol
SMILESCC(/C=C/C[C@@H](C)CO)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-15(10-9-11-16(2)13-19)12-17(3)14-20-21(7,8)18(4,5)6/h9-10,12,16-17,19H,11,13-14H2,1-8H3/b10-9+,15-12+/t16-,17-/m1/s1
InChIKeyDIUQLJHKNIYBIY-ZABCLQKFSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.17
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 (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol with MolForge

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
2-trimethylsilylethyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhepta-2,4-dienoate
CID 134982372
O-[(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enyl] methylsulfanylmethanethioate
CID 10382265
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol
CID 10710726
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862

Frequently Asked Questions

What is the IUPAC name of (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol?
The IUPAC name of (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol (CID 11738487) is (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol.
What is the SMILES notation for (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol?
The canonical SMILES for (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol is CC(/C=C/C[C@@H](C)CO)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol?
The InChIKey is DIUQLJHKNIYBIY-ZABCLQKFSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-15(10-9-11-16(2)13-19)12-17(3)14-20-21(7,8)18(4,5)6/h9-10,12,16-17,19H,11,13-14H2,1-8H3/b10-9+,15-12+/t16-,17-/m1/s1.
What are the key properties of (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol?
(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol is sourced from PubChem (CID 11738487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).