11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol

C21H36O2Si — CID 10427863

IUPAC11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol
SMILESC=C=C(C)C(O)CC(CCC#CCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C21H36O2Si/c1-10-18(4)20(22)16-19(17(2)3)14-12-11-13-15-23-24(8,9)21(5,6)7/h19-20,22H,1-2,12,14-16H2,3-9H3
InChIKeyFHFBKYNBPWWLGB-UHFFFAOYSA-N
MW348.60 g/mol
LogP5.47
Rot. Bonds8

About 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol

11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol (PubChem CID 10427863) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol
PubChem CID10427863
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol
SMILESC=C=C(C)C(O)CC(CCC#CCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C21H36O2Si/c1-10-18(4)20(22)16-19(17(2)3)14-12-11-13-15-23-24(8,9)21(5,6)7/h19-20,22H,1-2,12,14-16H2,3-9H3
InChIKeyFHFBKYNBPWWLGB-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol (CID 10427863) is 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol is C=C=C(C)C(O)CC(CCC#CCO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol?
The InChIKey is FHFBKYNBPWWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-10-18(4)20(22)16-19(17(2)3)14-12-11-13-15-23-24(8,9)21(5,6)7/h19-20,22H,1-2,12,14-16H2,3-9H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol?
11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol has a molecular weight of 348.60 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol is sourced from PubChem (CID 10427863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).