8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

C39H74O5Si3 — CID 20775245

IUPAC8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[Si](C)(CCCCCCCCCCCO)O[Si](C)(CCc1cccc2c1C(=O)CCC2)O[Si](C)(C)CCCCCCCCCCCO
InChIInChI=1S/C39H74O5Si3/c1-45(2,33-22-18-14-10-6-8-12-16-20-31-40)43-47(5,35-30-37-27-24-26-36-28-25-29-38(42)39(36)37)44-46(3,4)34-23-19-15-11-7-9-13-17-21-32-41/h24,26-27,40-41H,6-23,25,28-35H2,1-5H3
InChIKeyJQLUOSXIAZDSDY-UHFFFAOYSA-N
MW707.27 g/mol
LogP11.27
Rot. Bonds29

About 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 20775245) has the molecular formula C39H74O5Si3 and a molecular weight of 707.27 g/mol. Its IUPAC name is 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID20775245
Molecular FormulaC39H74O5Si3
Molecular Weight707.27 g/mol
Exact Mass706.48
IUPAC Name8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[Si](C)(CCCCCCCCCCCO)O[Si](C)(CCc1cccc2c1C(=O)CCC2)O[Si](C)(C)CCCCCCCCCCCO
InChIInChI=1S/C39H74O5Si3/c1-45(2,33-22-18-14-10-6-8-12-16-20-31-40)43-47(5,35-30-37-27-24-26-36-28-25-29-38(42)39(36)37)44-46(3,4)34-23-19-15-11-7-9-13-17-21-32-41/h24,26-27,40-41H,6-23,25,28-35H2,1-5H3
InChIKeyJQLUOSXIAZDSDY-UHFFFAOYSA-N
XLogP11.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.27
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

8-[2-[dimethoxy(methyl)silyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 20775246
6-[[6-hydroxyhexyl-[6-hydroxyhexyl(dimethyl)silyl]oxy-methylsilyl]oxy-dimethylsilyl]hexan-1-ol
CID 58975336
7-(4-hydroxybutyl)-3H-2-benzofuran-1-one
CID 141399667
(8-oxo-6,7-dihydro-5H-naphthalen-1-yl) acetate
CID 15503046
2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-6-phenylphenol
CID 59202633
5-(5-hydroxypentyl)-6-(4-methylsulfonylphenyl)-8,9-dihydro-7H-benzo[7]annulen-4-ol
CID 142793507
8-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylbut-1-en-2-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 134924395
8-[2-(tert-butylamino)-1-hydroxyethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 4713255
dimethyl (E)-2-[(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)amino]but-2-enedioate
CID 168569548
4-(10-hydroxydecyl)isoindole-1,3-dione
CID 118982082
8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one
CID 105422231
ethane;2-(4-methoxyphenyl)-2-[(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)amino]acetic acid
CID 143870442

Frequently Asked Questions

What is the IUPAC name of 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 20775245) is 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is C[Si](C)(CCCCCCCCCCCO)O[Si](C)(CCc1cccc2c1C(=O)CCC2)O[Si](C)(C)CCCCCCCCCCCO.
What is the InChIKey of 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JQLUOSXIAZDSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74O5Si3/c1-45(2,33-22-18-14-10-6-8-12-16-20-31-40)43-47(5,35-30-37-27-24-26-36-28-25-29-38(42)39(36)37)44-46(3,4)34-23-19-15-11-7-9-13-17-21-32-41/h24,26-27,40-41H,6-23,25,28-35H2,1-5H3.
What are the key properties of 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 707.27 g/mol, XLogP of 11.27, 29 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[bis[[11-hydroxyundecyl(dimethyl)silyl]oxy]-methylsilyl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 20775245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).