(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol

C20H42O2Si2 — CID 101104977

IUPAC(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol
SMILESCCCCC(O)C/C(=C/[Si](C)(C)C)C/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-10-11-14-19(21)16-18(17-23(5,6)7)13-12-15-22-24(8,9)20(2,3)4/h12,15,17,19,21H,10-11,13-14,16H2,1-9H3/b15-12+,18-17+
InChIKeyVEKRUXZONDWCPB-DQDQKTFQSA-N
MW370.73 g/mol
LogP6.66
Rot. Bonds10

About (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol

(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol (PubChem CID 101104977) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol.

Molecular Properties

Compound Name(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol
PubChem CID101104977
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol
SMILESCCCCC(O)C/C(=C/[Si](C)(C)C)C/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-10-11-14-19(21)16-18(17-23(5,6)7)13-12-15-22-24(8,9)20(2,3)4/h12,15,17,19,21H,10-11,13-14,16H2,1-9H3/b15-12+,18-17+
InChIKeyVEKRUXZONDWCPB-DQDQKTFQSA-N
XLogP6.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol?
The IUPAC name of (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol (CID 101104977) is (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol.
What is the SMILES notation for (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol?
The canonical SMILES for (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol is CCCCC(O)C/C(=C/[Si](C)(C)C)C/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol?
The InChIKey is VEKRUXZONDWCPB-DQDQKTFQSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-10-11-14-19(21)16-18(17-23(5,6)7)13-12-15-22-24(8,9)20(2,3)4/h12,15,17,19,21H,10-11,13-14,16H2,1-9H3/b15-12+,18-17+.
What are the key properties of (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol?
(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol has a molecular weight of 370.73 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol is sourced from PubChem (CID 101104977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).