(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one

C30H62O4Si2 — CID 58822542

IUPAC(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one
SMILESCCC(=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)O
InChIInChI=1S/C30H62O4Si2/c1-17-26(32)19-18-21(2)27(33-35(13,14)29(7,8)9)22(3)20-23(4)28(24(5)25(6)31)34-36(15,16)30(10,11)12/h18-19,21-25,27-28,31H,17,20H2,1-16H3/b19-18-
InChIKeyWLNDTUJFGKCEBB-HNENSFHCSA-N
MW542.99 g/mol
LogP8.62
Rot. Bonds14

About (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one

(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one (PubChem CID 58822542) has the molecular formula C30H62O4Si2 and a molecular weight of 542.99 g/mol. Its IUPAC name is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one.

Molecular Properties

Compound Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one
PubChem CID58822542
Molecular FormulaC30H62O4Si2
Molecular Weight542.99 g/mol
Exact Mass542.42
IUPAC Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one
SMILESCCC(=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)O
InChIInChI=1S/C30H62O4Si2/c1-17-26(32)19-18-21(2)27(33-35(13,14)29(7,8)9)22(3)20-23(4)28(24(5)25(6)31)34-36(15,16)30(10,11)12/h18-19,21-25,27-28,31H,17,20H2,1-16H3/b19-18-
InChIKeyWLNDTUJFGKCEBB-HNENSFHCSA-N
XLogP8.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.99
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The IUPAC name of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one (CID 58822542) is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one.
What is the SMILES notation for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The canonical SMILES for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one is CCC(=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)O.
What is the InChIKey of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The InChIKey is WLNDTUJFGKCEBB-HNENSFHCSA-N. The full InChI is InChI=1S/C30H62O4Si2/c1-17-26(32)19-18-21(2)27(33-35(13,14)29(7,8)9)22(3)20-23(4)28(24(5)25(6)31)34-36(15,16)30(10,11)12/h18-19,21-25,27-28,31H,17,20H2,1-16H3/b19-18-.
What are the key properties of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one has a molecular weight of 542.99 g/mol, XLogP of 8.62, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one is sourced from PubChem (CID 58822542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).