(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol

C20H36O2Si — CID 11359645

IUPAC(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
SMILESC#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+
InChIKeyKUIQBNQLRCDCJG-GHRIWEEISA-N
MW336.59 g/mol
LogP5.46
Rot. Bonds10

About (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol

(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol (PubChem CID 11359645) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol.

Molecular Properties

Compound Name(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
PubChem CID11359645
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
SMILESC#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+
InChIKeyKUIQBNQLRCDCJG-GHRIWEEISA-N
XLogP5.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.46
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(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
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]methanol
CID 134965784
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 164668674
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216823
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216824
3-Butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 54471676
(1R,4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 57268093

Frequently Asked Questions

What is the IUPAC name of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The IUPAC name of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol (CID 11359645) is (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol.
What is the SMILES notation for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The canonical SMILES for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol is C#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The InChIKey is KUIQBNQLRCDCJG-GHRIWEEISA-N. The full InChI is InChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+.
What are the key properties of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol has a molecular weight of 336.59 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol is sourced from PubChem (CID 11359645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).