(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol

C16H32O2Si — CID 102108791

IUPAC(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-15(11-8-7-9-13-17)12-10-14-18-19(5,6)16(2,3)4/h7-8,11,17H,9-10,12-14H2,1-6H3/b8-7+,15-11+
InChIKeyNJFCACRIFRFDEM-XHBXSBNISA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds8

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

(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol (PubChem CID 102108791) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
PubChem CID102108791
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-15(11-8-7-9-13-17)12-10-14-18-19(5,6)16(2,3)4/h7-8,11,17H,9-10,12-14H2,1-6H3/b8-7+,15-11+
InChIKeyNJFCACRIFRFDEM-XHBXSBNISA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
CID 10903884
7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol (CID 102108791) is (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol is C/C(=C\C=C\CCO)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol?
The InChIKey is NJFCACRIFRFDEM-XHBXSBNISA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(11-8-7-9-13-17)12-10-14-18-19(5,6)16(2,3)4/h7-8,11,17H,9-10,12-14H2,1-6H3/b8-7+,15-11+.
What are the key properties of (3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol?
(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-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,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol is sourced from PubChem (CID 102108791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).