but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate

C21H36O3Si — CID 11559633

IUPACbut-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate
SMILESC=CC(C)OC(=O)C(=C)CCCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-19(3)24-20(22)18(2)16-14-12-10-11-13-15-17-23-25(7,8)21(4,5)6/h9,19H,1-2,10-12,14,16-17H2,3-8H3
InChIKeyQXIVZULNRRUEPT-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.64
Rot. Bonds10

About but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate

but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate (PubChem CID 11559633) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate.

Molecular Properties

Compound Namebut-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate
PubChem CID11559633
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Namebut-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate
SMILESC=CC(C)OC(=O)C(=C)CCCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-19(3)24-20(22)18(2)16-14-12-10-11-13-15-17-23-25(7,8)21(4,5)6/h9,19H,1-2,10-12,14,16-17H2,3-8H3
InChIKeyQXIVZULNRRUEPT-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate?
The IUPAC name of but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate (CID 11559633) is but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate.
What is the SMILES notation for but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate?
The canonical SMILES for but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate is C=CC(C)OC(=O)C(=C)CCCCCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate?
The InChIKey is QXIVZULNRRUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-9-19(3)24-20(22)18(2)16-14-12-10-11-13-15-17-23-25(7,8)21(4,5)6/h9,19H,1-2,10-12,14,16-17H2,3-8H3.
What are the key properties of but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate?
but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate has a molecular weight of 364.60 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedec-8-ynoate is sourced from PubChem (CID 11559633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).