1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane

C26H54O5 — CID 150837931

IUPAC1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane
SMILESCCCCCCCCC(CCCOC(C)OCC)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C26H54O5/c1-7-12-13-14-15-16-18-25(19-17-23-28-24(6)27-11-5)26(29-20-8-2,30-21-9-3)31-22-10-4/h24-25H,7-23H2,1-6H3
InChIKeyKNJMUMVAFCOXKN-UHFFFAOYSA-N
MW446.71 g/mol
LogP7.47
Rot. Bonds24

About 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane

1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane (PubChem CID 150837931) has the molecular formula C26H54O5 and a molecular weight of 446.71 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane
PubChem CID150837931
Molecular FormulaC26H54O5
Molecular Weight446.71 g/mol
Exact Mass446.40
IUPAC Name1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane
SMILESCCCCCCCCC(CCCOC(C)OCC)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C26H54O5/c1-7-12-13-14-15-16-18-25(19-17-23-28-24(6)27-11-5)26(29-20-8-2,30-21-9-3)31-22-10-4/h24-25H,7-23H2,1-6H3
InChIKeyKNJMUMVAFCOXKN-UHFFFAOYSA-N
XLogP7.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.71
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane 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

1-iodo-4-(tripropoxymethyl)dodecane
CID 151194630
1-iodo-5-(tripropoxymethyl)tridecane
CID 150356922
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
5-(tripropoxymethyl)tridecanenitrile
CID 152551065
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
2-decoxy-1,1,1-tripropoxydecane
CID 161487302
1,2,3,4,5-pentafluoro-6-[11-(tripropoxymethyl)nonadecyl]benzene
CID 172758790
(E)-1-(1-ethoxyethoxy)heptadec-8-ene
CID 10496409
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane?
The IUPAC name of 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane (CID 150837931) is 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane.
What is the SMILES notation for 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane?
The canonical SMILES for 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane is CCCCCCCCC(CCCOC(C)OCC)C(OCCC)(OCCC)OCCC.
What is the InChIKey of 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane?
The InChIKey is KNJMUMVAFCOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O5/c1-7-12-13-14-15-16-18-25(19-17-23-28-24(6)27-11-5)26(29-20-8-2,30-21-9-3)31-22-10-4/h24-25H,7-23H2,1-6H3.
What are the key properties of 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane?
1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane has a molecular weight of 446.71 g/mol, XLogP of 7.47, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane is sourced from PubChem (CID 150837931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).