(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol

C15H32O3Si — CID 11196999

IUPAC(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
SMILESC/C=C/[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-10-13(16)11(2)14(17)12(3)18-19(7,8)15(4,5)6/h9-14,16-17H,1-8H3/b10-9+/t11-,12+,13+,14+/m1/s1
InChIKeySGJHNDFADJMWTP-CGGYXVSXSA-N
MW288.50 g/mol
LogP3.33
Rot. Bonds6

About (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol

(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol (PubChem CID 11196999) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol.

Molecular Properties

Compound Name(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
PubChem CID11196999
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
SMILESC/C=C/[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-10-13(16)11(2)14(17)12(3)18-19(7,8)15(4,5)6/h9-14,16-17H,1-8H3/b10-9+/t11-,12+,13+,14+/m1/s1
InChIKeySGJHNDFADJMWTP-CGGYXVSXSA-N
XLogP3.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-4-ene-1,2,3-triol
CID 44466531
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol?
The IUPAC name of (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol (CID 11196999) is (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol.
What is the SMILES notation for (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol?
The canonical SMILES for (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol is C/C=C/[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol?
The InChIKey is SGJHNDFADJMWTP-CGGYXVSXSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-10-13(16)11(2)14(17)12(3)18-19(7,8)15(4,5)6/h9-14,16-17H,1-8H3/b10-9+/t11-,12+,13+,14+/m1/s1.
What are the key properties of (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol?
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol has a molecular weight of 288.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol is sourced from PubChem (CID 11196999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).