(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol

C17H36O2Si — CID 72722963

IUPAC(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC
InChIInChI=1S/C17H36O2Si/c1-10-12-15(14(4)16(18)13(3)11-2)19-20(8,9)17(5,6)7/h10,13-16,18H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1
InChIKeyDWXZFRUJQJUFFC-YHUYYLMFSA-N
MW300.56 g/mol
LogP5.00
Rot. Bonds8

About (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol

(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol (PubChem CID 72722963) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol.

Molecular Properties

Compound Name(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
PubChem CID72722963
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC
InChIInChI=1S/C17H36O2Si/c1-10-12-15(14(4)16(18)13(3)11-2)19-20(8,9)17(5,6)7/h10,13-16,18H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1
InChIKeyDWXZFRUJQJUFFC-YHUYYLMFSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 55.00
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 (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
[(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-yl] (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 72722862
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
[(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptan-3-yl] 2-bromopropanoate
CID 16753972
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol?
The IUPAC name of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol (CID 72722963) is (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol.
What is the SMILES notation for (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol?
The canonical SMILES for (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC.
What is the InChIKey of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol?
The InChIKey is DWXZFRUJQJUFFC-YHUYYLMFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-10-12-15(14(4)16(18)13(3)11-2)19-20(8,9)17(5,6)7/h10,13-16,18H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1.
What are the key properties of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol?
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol has a molecular weight of 300.56 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol is sourced from PubChem (CID 72722963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).