methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate

C30H62O5Si2 — CID 58762130

IUPACmethyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate
SMILESCOC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H62O5Si2/c1-21(18-19-26(31)33-13)27(34-36(14,15)29(6,7)8)22(2)20-23(3)28(24(4)25(5)32-12)35-37(16,17)30(9,10)11/h18-19,21-25,27-28H,20H2,1-17H3/b19-18-
InChIKeyYNNYSDCLEZMQNZ-HNENSFHCSA-N
MW558.99 g/mol
LogP8.47
Rot. Bonds14

About methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate

methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate (PubChem CID 58762130) has the molecular formula C30H62O5Si2 and a molecular weight of 558.99 g/mol. Its IUPAC name is methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate
PubChem CID58762130
Molecular FormulaC30H62O5Si2
Molecular Weight558.99 g/mol
Exact Mass558.41
IUPAC Namemethyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate
SMILESCOC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H62O5Si2/c1-21(18-19-26(31)33-13)27(34-36(14,15)29(6,7)8)22(2)20-23(3)28(24(4)25(5)32-12)35-37(16,17)30(9,10)11/h18-19,21-25,27-28H,20H2,1-17H3/b19-18-
InChIKeyYNNYSDCLEZMQNZ-HNENSFHCSA-N
XLogP8.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.99
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate?
The IUPAC name of methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate (CID 58762130) is methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate.
What is the SMILES notation for methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate?
The canonical SMILES for methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate is COC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC.
What is the InChIKey of methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate?
The InChIKey is YNNYSDCLEZMQNZ-HNENSFHCSA-N. The full InChI is InChI=1S/C30H62O5Si2/c1-21(18-19-26(31)33-13)27(34-36(14,15)29(6,7)8)22(2)20-23(3)28(24(4)25(5)32-12)35-37(16,17)30(9,10)11/h18-19,21-25,27-28H,20H2,1-17H3/b19-18-.
What are the key properties of methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate?
methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate has a molecular weight of 558.99 g/mol, XLogP of 8.47, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate is sourced from PubChem (CID 58762130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).