3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal

C27H54O10 — CID 87812958

IUPAC3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal
SMILESCCCCCCCC(CC)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C27H54O10/c1-12-14-15-16-17-18-26(13-2,35-23(6)32-20(3)29-9)27(19-28,36-24(7)33-21(4)30-10)37-25(8)34-22(5)31-11/h19-25H,12-18H2,1-11H3
InChIKeySRSSJWMGEBWDNJ-UHFFFAOYSA-N
MW538.72 g/mol
LogP5.51
Rot. Bonds24

About 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal

3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal (PubChem CID 87812958) has the molecular formula C27H54O10 and a molecular weight of 538.72 g/mol. Its IUPAC name is 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal.

Molecular Properties

Compound Name3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal
PubChem CID87812958
Molecular FormulaC27H54O10
Molecular Weight538.72 g/mol
Exact Mass538.37
IUPAC Name3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal
SMILESCCCCCCCC(CC)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C27H54O10/c1-12-14-15-16-17-18-26(13-2,35-23(6)32-20(3)29-9)27(19-28,36-24(7)33-21(4)30-10)37-25(8)34-22(5)31-11/h19-25H,12-18H2,1-11H3
InChIKeySRSSJWMGEBWDNJ-UHFFFAOYSA-N
XLogP5.51
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.72
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methylhexanal
CID 87813240
9,11-diethyl-9,11-bis[tris[1-(1-methoxyethoxy)ethoxy]silyl]nonadecan-10-one
CID 87655672
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
2,2-dimethoxyheptadecanal
CID 142766531
2,2-diethylundecanal
CID 152675442
2-amino-2-methylundecanal
CID 175716419
1,1,2,2-tetramethoxyoctane
CID 15697911
2-hydroxy-2-methylundecanal
CID 66038378
(2R)-2-amino-2-methylnonanal
CID 145052924
2-(1-methoxyethoxy)dodecane
CID 121368896
2-methyl-2-sulfanyldecanal
CID 154228508
2-bromo-2-ethyldodecanal
CID 11623442

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal?
The IUPAC name of 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal (CID 87812958) is 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal.
What is the SMILES notation for 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal?
The canonical SMILES for 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal is CCCCCCCC(CC)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal?
The InChIKey is SRSSJWMGEBWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O10/c1-12-14-15-16-17-18-26(13-2,35-23(6)32-20(3)29-9)27(19-28,36-24(7)33-21(4)30-10)37-25(8)34-22(5)31-11/h19-25H,12-18H2,1-11H3.
What are the key properties of 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal?
3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal has a molecular weight of 538.72 g/mol, XLogP of 5.51, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3-tris[1-(1-methoxyethoxy)ethoxy]decanal is sourced from PubChem (CID 87812958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).