2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde

C15H30O4 — CID 175620822

IUPAC2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
SMILESCCOCCCCCC(O)CCCCCOCC=O
InChIInChI=1S/C15H30O4/c1-2-18-12-7-3-5-9-15(17)10-6-4-8-13-19-14-11-16/h11,15,17H,2-10,12-14H2,1H3
InChIKeyHLZYBJDURXSUDD-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.72
Rot. Bonds15

About 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde

2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde (PubChem CID 175620822) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde.

Molecular Properties

Compound Name2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
PubChem CID175620822
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
SMILESCCOCCCCCC(O)CCCCCOCC=O
InChIInChI=1S/C15H30O4/c1-2-18-12-7-3-5-9-15(17)10-6-4-8-13-19-14-11-16/h11,15,17H,2-10,12-14H2,1H3
InChIKeyHLZYBJDURXSUDD-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

14-ethoxytetradecane-1,3-diol
CID 57222760
1-ethoxytetratriacont-25-en-17-ol
CID 123371812
1,19-dibutoxynonadecan-10-ol
CID 129293593
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
methyl 8-ethoxy-4-hydroxyoctanoate
CID 138564422
azane;12-prop-2-enoxydodecan-3-ol
CID 175787809
11-hydroxyheptadecyl formate
CID 135177819
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
6-ethoxy-2-methylhexanoic acid
CID 21074373
9-(2-oxoethoxy)nonanal
CID 156808348
1-ethoxy-17-methyloctadecane
CID 91042875
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260

Frequently Asked Questions

What is the IUPAC name of 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde?
The IUPAC name of 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde (CID 175620822) is 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde.
What is the SMILES notation for 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde?
The canonical SMILES for 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde is CCOCCCCCC(O)CCCCCOCC=O.
What is the InChIKey of 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde?
The InChIKey is HLZYBJDURXSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-2-18-12-7-3-5-9-15(17)10-6-4-8-13-19-14-11-16/h11,15,17H,2-10,12-14H2,1H3.
What are the key properties of 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde?
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde has a molecular weight of 274.40 g/mol, XLogP of 2.72, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde is sourced from PubChem (CID 175620822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).