(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol

C17H34O2Si — CID 134979331

IUPAC(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
SMILESC=C/C=C/C(O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-11-16(18)15(3)12-14(2)13-19-20(7,8)17(4,5)6/h9-11,14-16,18H,1,12-13H2,2-8H3/b11-10+/t14-,15+,16?/m1/s1
InChIKeyUYRCDNUUSBTSID-MPBDXKCPSA-N
MW298.54 g/mol
LogP4.77
Rot. Bonds8

About (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol

(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol (PubChem CID 134979331) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol.

Molecular Properties

Compound Name(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
PubChem CID134979331
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
SMILESC=C/C=C/C(O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-11-16(18)15(3)12-14(2)13-19-20(7,8)17(4,5)6/h9-11,14-16,18H,1,12-13H2,2-8H3/b11-10+/t14-,15+,16?/m1/s1
InChIKeyUYRCDNUUSBTSID-MPBDXKCPSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
CID 122219893
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
CID 164887760
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4S,6S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-2,4,6,10,12-pentamethylhexadeca-13,15-dienal
CID 11387676
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877

Frequently Asked Questions

What is the IUPAC name of (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol?
The IUPAC name of (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol (CID 134979331) is (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol.
What is the SMILES notation for (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol?
The canonical SMILES for (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol is C=C/C=C/C(O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol?
The InChIKey is UYRCDNUUSBTSID-MPBDXKCPSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-11-16(18)15(3)12-14(2)13-19-20(7,8)17(4,5)6/h9-11,14-16,18H,1,12-13H2,2-8H3/b11-10+/t14-,15+,16?/m1/s1.
What are the key properties of (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol?
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol has a molecular weight of 298.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol is sourced from PubChem (CID 134979331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).