10-[2-(2-decyltetradecoxy)ethoxy]decanal

C36H72O3 — CID 59905363

IUPAC10-[2-(2-decyltetradecoxy)ethoxy]decanal
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCOCCCCCCCCCC=O
InChIInChI=1S/C36H72O3/c1-3-5-7-9-11-13-14-18-22-26-30-36(29-25-21-17-12-10-8-6-4-2)35-39-34-33-38-32-28-24-20-16-15-19-23-27-31-37/h31,36H,3-30,32-35H2,1-2H3
InChIKeyHROURHWSLWRBMP-UHFFFAOYSA-N
MW552.97 g/mol
LogP11.80
Rot. Bonds35

About 10-[2-(2-decyltetradecoxy)ethoxy]decanal

10-[2-(2-decyltetradecoxy)ethoxy]decanal (PubChem CID 59905363) has the molecular formula C36H72O3 and a molecular weight of 552.97 g/mol. Its IUPAC name is 10-[2-(2-decyltetradecoxy)ethoxy]decanal.

Molecular Properties

Compound Name10-[2-(2-decyltetradecoxy)ethoxy]decanal
PubChem CID59905363
Molecular FormulaC36H72O3
Molecular Weight552.97 g/mol
Exact Mass552.55
IUPAC Name10-[2-(2-decyltetradecoxy)ethoxy]decanal
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCOCCCCCCCCCC=O
InChIInChI=1S/C36H72O3/c1-3-5-7-9-11-13-14-18-22-26-30-36(29-25-21-17-12-10-8-6-4-2)35-39-34-33-38-32-28-24-20-16-15-19-23-27-31-37/h31,36H,3-30,32-35H2,1-2H3
InChIKeyHROURHWSLWRBMP-UHFFFAOYSA-N
XLogP11.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.97
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[2-(2-decyltetradecoxy)ethoxy]decanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
10-(butoxymethyl)henicosane
CID 87840055
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
7-propyldodecanal
CID 21439180
3-heptoxypropanal
CID 59708059
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
4-(butoxymethyl)nonane
CID 87066766
6,6-dioctoxyhexanal
CID 155246077
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
16-(16-oxohexadecoxy)hexadecanal
CID 87509641

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-decyltetradecoxy)ethoxy]decanal?
The IUPAC name of 10-[2-(2-decyltetradecoxy)ethoxy]decanal (CID 59905363) is 10-[2-(2-decyltetradecoxy)ethoxy]decanal.
What is the SMILES notation for 10-[2-(2-decyltetradecoxy)ethoxy]decanal?
The canonical SMILES for 10-[2-(2-decyltetradecoxy)ethoxy]decanal is CCCCCCCCCCCCC(CCCCCCCCCC)COCCOCCCCCCCCCC=O.
What is the InChIKey of 10-[2-(2-decyltetradecoxy)ethoxy]decanal?
The InChIKey is HROURHWSLWRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O3/c1-3-5-7-9-11-13-14-18-22-26-30-36(29-25-21-17-12-10-8-6-4-2)35-39-34-33-38-32-28-24-20-16-15-19-23-27-31-37/h31,36H,3-30,32-35H2,1-2H3.
What are the key properties of 10-[2-(2-decyltetradecoxy)ethoxy]decanal?
10-[2-(2-decyltetradecoxy)ethoxy]decanal has a molecular weight of 552.97 g/mol, XLogP of 11.80, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-decyltetradecoxy)ethoxy]decanal is sourced from PubChem (CID 59905363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).