(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol

C16H28OSi — CID 122380458

IUPAC(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(2)16(17)12-11-15(3)10-8-7-9-13-18(4,5)6/h10,16-17H,1,7-8,11-12H2,2-6H3/b15-10+
InChIKeyMBDFLKNXXVIIBH-XNTDXEJSSA-N
MW264.48 g/mol
LogP4.31
Rot. Bonds6

About (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol

(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol (PubChem CID 122380458) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol.

Molecular Properties

Compound Name(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
PubChem CID122380458
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(2)16(17)12-11-15(3)10-8-7-9-13-18(4,5)6/h10,16-17H,1,7-8,11-12H2,2-6H3/b15-10+
InChIKeyMBDFLKNXXVIIBH-XNTDXEJSSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.31
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
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-ol
CID 134962028
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-3-ol
CID 139252744
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-5-ol
CID 139252751

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol?
The IUPAC name of (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol (CID 122380458) is (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol.
What is the SMILES notation for (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol?
The canonical SMILES for (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol is C=C(C)C(O)CC/C(C)=C/CCC#C[Si](C)(C)C.
What is the InChIKey of (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol?
The InChIKey is MBDFLKNXXVIIBH-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H28OSi/c1-14(2)16(17)12-11-15(3)10-8-7-9-13-18(4,5)6/h10,16-17H,1,7-8,11-12H2,2-6H3/b15-10+.
What are the key properties of (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol?
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol has a molecular weight of 264.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol is sourced from PubChem (CID 122380458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).