(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol

C16H34O3Si — CID 10924673

IUPAC(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)CCO
InChIInChI=1S/C16H34O3Si/c1-9-10-14(16(5,6)13(18)11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+/t13-,14+/m0/s1
InChIKeyOANSPNDQUVUHIQ-XACNLCELSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds7

About (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol

(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol (PubChem CID 10924673) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol.

Molecular Properties

Compound Name(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol
PubChem CID10924673
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)CCO
InChIInChI=1S/C16H34O3Si/c1-9-10-14(16(5,6)13(18)11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+/t13-,14+/m0/s1
InChIKeyOANSPNDQUVUHIQ-XACNLCELSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
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

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961478
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
CID 101897818
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-en-1-ol
CID 134856951
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
CID 134979330
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854

Frequently Asked Questions

What is the IUPAC name of (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol?
The IUPAC name of (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol (CID 10924673) is (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol.
What is the SMILES notation for (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol?
The canonical SMILES for (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol is C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)CCO.
What is the InChIKey of (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol?
The InChIKey is OANSPNDQUVUHIQ-XACNLCELSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-14(16(5,6)13(18)11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+/t13-,14+/m0/s1.
What are the key properties of (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol?
(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol is sourced from PubChem (CID 10924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).