[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate

C24H46O4Si2 — CID 173367844

IUPAC[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate
SMILESCC(=O)OC(CCCCCCCC(O[SiH](C)C)C(C)(C)C)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C24H46O4Si2/c1-19(25)27-21(20-17-23(26-18-20)30(7,8)9)15-13-11-10-12-14-16-22(24(2,3)4)28-29(5)6/h17-18,21-22,29H,10-16H2,1-9H3
InChIKeyFTYYAAOIISWUTG-UHFFFAOYSA-N
MW454.80 g/mol
LogP6.57
Rot. Bonds13

About [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate

[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate (PubChem CID 173367844) has the molecular formula C24H46O4Si2 and a molecular weight of 454.80 g/mol. Its IUPAC name is [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate.

Molecular Properties

Compound Name[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate
PubChem CID173367844
Molecular FormulaC24H46O4Si2
Molecular Weight454.80 g/mol
Exact Mass454.29
IUPAC Name[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate
SMILESCC(=O)OC(CCCCCCCC(O[SiH](C)C)C(C)(C)C)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C24H46O4Si2/c1-19(25)27-21(20-17-23(26-18-20)30(7,8)9)15-13-11-10-12-14-16-22(24(2,3)4)28-29(5)6/h17-18,21-22,29H,10-16H2,1-9H3
InChIKeyFTYYAAOIISWUTG-UHFFFAOYSA-N
XLogP6.57
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.80
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068
1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
CID 67902996
1-(5-trimethylsilylfuran-3-yl)tridecyl N-(1-phenylethyl)carbamate
CID 67903001
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
[(2-tridec-1-ynylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 19885946
[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate
CID 70373901
[(2-tridec-2-ynylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 54127411
[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 15723385
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium
CID 173329265
1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
CID 15037084

Frequently Asked Questions

What is the IUPAC name of [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate?
The IUPAC name of [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate (CID 173367844) is [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate.
What is the SMILES notation for [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate?
The canonical SMILES for [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate is CC(=O)OC(CCCCCCCC(O[SiH](C)C)C(C)(C)C)c1coc([Si](C)(C)C)c1.
What is the InChIKey of [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate?
The InChIKey is FTYYAAOIISWUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4Si2/c1-19(25)27-21(20-17-23(26-18-20)30(7,8)9)15-13-11-10-12-14-16-22(24(2,3)4)28-29(5)6/h17-18,21-22,29H,10-16H2,1-9H3.
What are the key properties of [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate?
[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate has a molecular weight of 454.80 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate is sourced from PubChem (CID 173367844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).