11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane

C32H64O — CID 162425525

IUPAC11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC
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/h29,32H,5-28,30H2,1-4H3/b31-29+
InChIKeyATXUABGUMXTBCW-OWWNRXNESA-N
MW464.86 g/mol
LogP11.95
Rot. Bonds27

About 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane

11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane (PubChem CID 162425525) has the molecular formula C32H64O and a molecular weight of 464.86 g/mol. Its IUPAC name is 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane.

Molecular Properties

Compound Name11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
PubChem CID162425525
Molecular FormulaC32H64O
Molecular Weight464.86 g/mol
Exact Mass464.50
IUPAC Name11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC
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/h29,32H,5-28,30H2,1-4H3/b31-29+
InChIKeyATXUABGUMXTBCW-OWWNRXNESA-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'}

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Related Compounds

11-(2-ethylhexoxymethylidene)tricosane
CID 151053053
2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate
CID 163974126
1-(2-ethylhex-1-enoxy)decane
CID 166758323
5-(ethenoxymethyl)undecane
CID 90318537
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
4-(ethenoxymethyl)nonane
CID 54548682
19-(methoxymethyl)heptatriacontane
CID 59499210
1-ethenoxy-2-(ethenoxymethyl)heptane
CID 21184926
2-decyltetradecyl propanoate
CID 160958817
bis(2-hexyldecyl) (E)-but-2-enedioate
CID 6366024
CID 178056197
CID 178056197
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane?
The IUPAC name of 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane (CID 162425525) is 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane.
What is the SMILES notation for 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane?
The canonical SMILES for 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane is CCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC.
What is the InChIKey of 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane?
The InChIKey is ATXUABGUMXTBCW-OWWNRXNESA-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/h29,32H,5-28,30H2,1-4H3/b31-29+.
What are the key properties of 11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane?
11-[[(E)-2-ethylhex-1-enoxy]methyl]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-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane is sourced from PubChem (CID 162425525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).