(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol

C18H38O2Si — CID 10567302

IUPAC(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C18H38O2Si/c1-14(2)11-10-12-15(3)17(16(4)13-19)20-21(8,9)18(5,6)7/h11,15-17,19H,10,12-13H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyRAUJQJLMCFJPIE-IKGGRYGDSA-N
MW314.59 g/mol
LogP5.39
Rot. Bonds8

About (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol

(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol (PubChem CID 10567302) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol.

Molecular Properties

Compound Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol
PubChem CID10567302
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C18H38O2Si/c1-14(2)11-10-12-15(3)17(16(4)13-19)20-21(8,9)18(5,6)7/h11,15-17,19H,10,12-13H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyRAUJQJLMCFJPIE-IKGGRYGDSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.39
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'}

Analyze (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1E,3E,5R,6S,7R,8R,9S,11E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3,5,7,9,11-pentamethyltrideca-1,3,11-trien-6-ol
CID 24740596
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol?
The IUPAC name of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol (CID 10567302) is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol.
What is the SMILES notation for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol?
The canonical SMILES for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol is CC(C)=CCC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol?
The InChIKey is RAUJQJLMCFJPIE-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-14(2)11-10-12-15(3)17(16(4)13-19)20-21(8,9)18(5,6)7/h11,15-17,19H,10,12-13H2,1-9H3/t15-,16+,17+/m1/s1.
What are the key properties of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol?
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol is sourced from PubChem (CID 10567302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).