2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal

C21H42O4Si — CID 11036481

IUPAC2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal
SMILESCCOC(CC(C=O)CC(O[Si](C)(C)C(C)C)C1CCCCC1)OCC
InChIInChI=1S/C21H42O4Si/c1-7-23-21(24-8-2)15-18(16-22)14-20(19-12-10-9-11-13-19)25-26(5,6)17(3)4/h16-21H,7-15H2,1-6H3
InChIKeyFVBDNUSKLJUAHN-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.56
Rot. Bonds13

About 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal

2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal (PubChem CID 11036481) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal.

Molecular Properties

Compound Name2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal
PubChem CID11036481
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal
SMILESCCOC(CC(C=O)CC(O[Si](C)(C)C(C)C)C1CCCCC1)OCC
InChIInChI=1S/C21H42O4Si/c1-7-23-21(24-8-2)15-18(16-22)14-20(19-12-10-9-11-13-19)25-26(5,6)17(3)4/h16-21H,7-15H2,1-6H3
InChIKeyFVBDNUSKLJUAHN-UHFFFAOYSA-N
XLogP5.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,6-dimethylheptanal
CID 101579951
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)heptanal
CID 134863365
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,6-dimethoxyoxan-4-yl)-2-methylbutanal
CID 134875261
(2R,3R,4R,5R,6R)-6-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-2,4-dimethyl-3,5-bis(triethylsilyloxy)heptanal
CID 134953250
2-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
CID 21246038
(3S)-3-[(2R,3S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-6-methyloxan-3-yl]butanal
CID 174152339
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-2-methylbutanal
CID 10498770
(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
CID 10671839
3-[(2S,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]propanal
CID 10892885
trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde
CID 10903645
(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal
CID 10970398

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal?
The IUPAC name of 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal (CID 11036481) is 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal.
What is the SMILES notation for 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal?
The canonical SMILES for 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal is CCOC(CC(C=O)CC(O[Si](C)(C)C(C)C)C1CCCCC1)OCC.
What is the InChIKey of 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal?
The InChIKey is FVBDNUSKLJUAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-7-23-21(24-8-2)15-18(16-22)14-20(19-12-10-9-11-13-19)25-26(5,6)17(3)4/h16-21H,7-15H2,1-6H3.
What are the key properties of 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal?
2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal has a molecular weight of 386.65 g/mol, XLogP of 5.56, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal is sourced from PubChem (CID 11036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).