7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine

C37H81Cl2NO6Si2 — CID 162060286

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CCCC=O.CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO.CCN(CC)CC.ClCCl
InChIInChI=1S/C15H34O3Si.C15H30O3Si.C6H15N.CH2Cl2/c2*1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16;1-4-7(5-2)6-3;2-1-3/h13,16-17H,8-12H2,1-7H3;11H,8-10,12H2,1-7H3;4-6H2,1-3H3;1H2
InChIKeyYZSXDWUBFDFWNV-UHFFFAOYSA-N
MW763.13 g/mol
LogP10.30
Rot. Bonds19

About 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine

7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine (PubChem CID 162060286) has the molecular formula C37H81Cl2NO6Si2 and a molecular weight of 763.13 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine
PubChem CID162060286
Molecular FormulaC37H81Cl2NO6Si2
Molecular Weight763.13 g/mol
Exact Mass761.50
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CCCC=O.CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO.CCN(CC)CC.ClCCl
InChIInChI=1S/C15H34O3Si.C15H30O3Si.C6H15N.CH2Cl2/c2*1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16;1-4-7(5-2)6-3;2-1-3/h13,16-17H,8-12H2,1-7H3;11H,8-10,12H2,1-7H3;4-6H2,1-3H3;1H2
InChIKeyYZSXDWUBFDFWNV-UHFFFAOYSA-N
XLogP10.30
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.13
LogP ≤ 510.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine with MolForge

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
CID 102015279
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
[(Z,10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-2-oxoundec-5-en-3-yl] acetate;dichloromethane;[(Z,10S)-11-hydroxy-6,10-dimethyl-2-oxoundec-5-en-3-yl] acetate
CID 162186178
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine (CID 162060286) is 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine is CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CCCC=O.CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO.CCN(CC)CC.ClCCl.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine?
The InChIKey is YZSXDWUBFDFWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si.C15H30O3Si.C6H15N.CH2Cl2/c2*1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16;1-4-7(5-2)6-3;2-1-3/h13,16-17H,8-12H2,1-7H3;11H,8-10,12H2,1-7H3;4-6H2,1-3H3;1H2.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine?
7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine has a molecular weight of 763.13 g/mol, XLogP of 10.30, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine is sourced from PubChem (CID 162060286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).