(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol

C17H34O3Si — CID 11099074

IUPAC(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol
SMILESC=C(C)[C@@](O)(/C=C\C(C)(C)O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)17(19,12-11-16(7,8)18)14(3)20-21(9,10)15(4,5)6/h11-12,14,18-19H,1H2,2-10H3/b12-11-/t14-,17+/m1/s1
InChIKeyVBGCAWUAZFYYOM-PFQLYRODSA-N
MW314.54 g/mol
LogP4.03
Rot. Bonds6

About (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol

(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol (PubChem CID 11099074) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol.

Molecular Properties

Compound Name(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol
PubChem CID11099074
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol
SMILESC=C(C)[C@@](O)(/C=C\C(C)(C)O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)17(19,12-11-16(7,8)18)14(3)20-21(9,10)15(4,5)6/h11-12,14,18-19H,1H2,2-10H3/b12-11-/t14-,17+/m1/s1
InChIKeyVBGCAWUAZFYYOM-PFQLYRODSA-N
XLogP4.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.03
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'}

Analyze (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol with MolForge

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Related Compounds

(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227
(E,2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-4-ene-1,2,3-triol
CID 44466531
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
CID 53329570
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,2S,3S)-3,4,6-trimethyl-2-triethylsilyloxyhept-4-en-3-ol
CID 101800487
(E,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-3-methylpent-1-en-3-ol
CID 101800490
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
CID 102257206
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
CID 134865662

Frequently Asked Questions

What is the IUPAC name of (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol?
The IUPAC name of (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol (CID 11099074) is (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol.
What is the SMILES notation for (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol?
The canonical SMILES for (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol is C=C(C)[C@@](O)(/C=C\C(C)(C)O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol?
The InChIKey is VBGCAWUAZFYYOM-PFQLYRODSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)17(19,12-11-16(7,8)18)14(3)20-21(9,10)15(4,5)6/h11-12,14,18-19H,1H2,2-10H3/b12-11-/t14-,17+/m1/s1.
What are the key properties of (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol?
(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol has a molecular weight of 314.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol is sourced from PubChem (CID 11099074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).