(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol

C16H32O2Si — CID 102257206

IUPAC(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
SMILESC=CCCC/C=C(\CO[Si](C)(C)C(C)(C)C)C(C)O
InChIInChI=1S/C16H32O2Si/c1-8-9-10-11-12-15(14(2)17)13-18-19(6,7)16(3,4)5/h8,12,14,17H,1,9-11,13H2,2-7H3/b15-12+
InChIKeyLWQUCEMFYJFFEX-NTCAYCPXSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds8

About (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol

(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol (PubChem CID 102257206) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
PubChem CID102257206
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
SMILESC=CCCC/C=C(\CO[Si](C)(C)C(C)(C)C)C(C)O
InChIInChI=1S/C16H32O2Si/c1-8-9-10-11-12-15(14(2)17)13-18-19(6,7)16(3,4)5/h8,12,14,17H,1,9-11,13H2,2-7H3/b15-12+
InChIKeyLWQUCEMFYJFFEX-NTCAYCPXSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 24822910
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 13618185

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol?
The IUPAC name of (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol (CID 102257206) is (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol.
What is the SMILES notation for (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol?
The canonical SMILES for (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol is C=CCCC/C=C(\CO[Si](C)(C)C(C)(C)C)C(C)O.
What is the InChIKey of (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol?
The InChIKey is LWQUCEMFYJFFEX-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-9-10-11-12-15(14(2)17)13-18-19(6,7)16(3,4)5/h8,12,14,17H,1,9-11,13H2,2-7H3/b15-12+.
What are the key properties of (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol?
(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol is sourced from PubChem (CID 102257206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).