(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol

C16H32O2Si — CID 53341832

IUPAC(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol
SMILESC=C(/C=C/CCCO)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/h8,11,17H,1,7,9-10,12-14H2,2-6H3/b11-8+
InChIKeyRCPMGROQOMCDPU-DHZHZOJOSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds9

About (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol

(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol (PubChem CID 53341832) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol.

Molecular Properties

Compound Name(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol
PubChem CID53341832
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol
SMILESC=C(/C=C/CCCO)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/h8,11,17H,1,7,9-10,12-14H2,2-6H3/b11-8+
InChIKeyRCPMGROQOMCDPU-DHZHZOJOSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
CID 102108791
(E)-8-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
CID 102406717
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
CID 102406721
(5z,7e)-5,7-Decadienyloxy-tert.butyldimethylsilane
CID 129866685
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
CID 134858684
(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
CID 134887155
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
CID 134982484
(Z)-8-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
CID 134993647
(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol
CID 135008815

Frequently Asked Questions

What is the IUPAC name of (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol?
The IUPAC name of (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol (CID 53341832) is (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol.
What is the SMILES notation for (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol?
The canonical SMILES for (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol is C=C(/C=C/CCCO)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol?
The InChIKey is RCPMGROQOMCDPU-DHZHZOJOSA-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/h8,11,17H,1,7,9-10,12-14H2,2-6H3/b11-8+.
What are the key properties of (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol?
(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol is sourced from PubChem (CID 53341832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).