(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol

C17H30OSi — CID 10516758

IUPAC(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-15(2)17(18)13-12-16(3)11-9-7-8-10-14-19(4,5)6/h11,17-18H,1,7,9,12-14H2,2-6H3/b16-11+
InChIKeyUFBARBRZPFYGCU-LFIBNONCSA-N
MW278.51 g/mol
LogP4.77
Rot. Bonds7

About (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol

(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol (PubChem CID 10516758) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol.

Molecular Properties

Compound Name(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol
PubChem CID10516758
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-15(2)17(18)13-12-16(3)11-9-7-8-10-14-19(4,5)6/h11,17-18H,1,7,9,12-14H2,2-6H3/b16-11+
InChIKeyUFBARBRZPFYGCU-LFIBNONCSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.77
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
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
(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

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol?
The IUPAC name of (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol (CID 10516758) is (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol.
What is the SMILES notation for (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol?
The canonical SMILES for (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol is C=C(C)C(O)CC/C(C)=C/CCC#CC[Si](C)(C)C.
What is the InChIKey of (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol?
The InChIKey is UFBARBRZPFYGCU-LFIBNONCSA-N. The full InChI is InChI=1S/C17H30OSi/c1-15(2)17(18)13-12-16(3)11-9-7-8-10-14-19(4,5)6/h11,17-18H,1,7,9,12-14H2,2-6H3/b16-11+.
What are the key properties of (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol?
(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol has a molecular weight of 278.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol is sourced from PubChem (CID 10516758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).