(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol

C18H32OSi — CID 11044553

IUPAC(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCCC#CC[Si](C)(C)C
InChIInChI=1S/C18H32OSi/c1-16(2)18(19)14-13-17(3)12-10-8-7-9-11-15-20(4,5)6/h12,18-19H,1,7-8,10,13-15H2,2-6H3/b17-12+
InChIKeySEEBKBJIUPHOHQ-SFQUDFHCSA-N
MW292.54 g/mol
LogP5.16
Rot. Bonds8

About (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol

(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol (PubChem CID 11044553) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol.

Molecular Properties

Compound Name(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol
PubChem CID11044553
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCCC#CC[Si](C)(C)C
InChIInChI=1S/C18H32OSi/c1-16(2)18(19)14-13-17(3)12-10-8-7-9-11-15-20(4,5)6/h12,18-19H,1,7-8,10,13-15H2,2-6H3/b17-12+
InChIKeySEEBKBJIUPHOHQ-SFQUDFHCSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645
18-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-19-methylicosa-1,18-dien-4,8,14-triyn-3-ol
CID 11374361
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(E)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 15176337
(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol
CID 15721121
(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
CID 42636689
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
CID 134857299
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-ol
CID 134962028

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol?
The IUPAC name of (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol (CID 11044553) is (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol.
What is the SMILES notation for (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol?
The canonical SMILES for (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol is C=C(C)C(O)CC/C(C)=C/CCCC#CC[Si](C)(C)C.
What is the InChIKey of (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol?
The InChIKey is SEEBKBJIUPHOHQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H32OSi/c1-16(2)18(19)14-13-17(3)12-10-8-7-9-11-15-20(4,5)6/h12,18-19H,1,7-8,10,13-15H2,2-6H3/b17-12+.
What are the key properties of (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol?
(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol has a molecular weight of 292.54 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol is sourced from PubChem (CID 11044553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).