11-(2-ethylhexoxymethylidene)tricosane

C32H64O — CID 151053053

IUPAC11-(2-ethylhexoxymethylidene)tricosane
SMILESCCCCCCCCCCCCC(=COCC(CC)CCCC)CCCCCCCCCC
InChIInChI=1S/C32H64O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3/h30-31H,5-29H2,1-4H3
InChIKeyMENPUZMGZQIDDH-UHFFFAOYSA-N
MW464.86 g/mol
LogP11.95
Rot. Bonds27

About 11-(2-ethylhexoxymethylidene)tricosane

11-(2-ethylhexoxymethylidene)tricosane (PubChem CID 151053053) has the molecular formula C32H64O and a molecular weight of 464.86 g/mol. Its IUPAC name is 11-(2-ethylhexoxymethylidene)tricosane.

Molecular Properties

Compound Name11-(2-ethylhexoxymethylidene)tricosane
PubChem CID151053053
Molecular FormulaC32H64O
Molecular Weight464.86 g/mol
Exact Mass464.50
IUPAC Name11-(2-ethylhexoxymethylidene)tricosane
SMILESCCCCCCCCCCCCC(=COCC(CC)CCCC)CCCCCCCCCC
InChIInChI=1S/C32H64O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3/h30-31H,5-29H2,1-4H3
InChIKeyMENPUZMGZQIDDH-UHFFFAOYSA-N
XLogP11.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-(2-ethylhexoxymethylidene)tricosane 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

11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
CID 162425525
(E)-1-(2-ethylhexoxy)tetracos-1-ene
CID 166757092
3-(prop-1-enoxymethyl)heptane
CID 123335431
2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate
CID 163974126
bis(2-ethylhexyl) nonanedioate
CID 7642
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylundecyl nonanoate
CID 176969573
2-ethylhexadecyl octadecanoate
CID 23363420
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254

Frequently Asked Questions

What is the IUPAC name of 11-(2-ethylhexoxymethylidene)tricosane?
The IUPAC name of 11-(2-ethylhexoxymethylidene)tricosane (CID 151053053) is 11-(2-ethylhexoxymethylidene)tricosane.
What is the SMILES notation for 11-(2-ethylhexoxymethylidene)tricosane?
The canonical SMILES for 11-(2-ethylhexoxymethylidene)tricosane is CCCCCCCCCCCCC(=COCC(CC)CCCC)CCCCCCCCCC.
What is the InChIKey of 11-(2-ethylhexoxymethylidene)tricosane?
The InChIKey is MENPUZMGZQIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3/h30-31H,5-29H2,1-4H3.
What are the key properties of 11-(2-ethylhexoxymethylidene)tricosane?
11-(2-ethylhexoxymethylidene)tricosane has a molecular weight of 464.86 g/mol, XLogP of 11.95, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-ethylhexoxymethylidene)tricosane is sourced from PubChem (CID 151053053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).