4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene

C24H46O — CID 141127853

IUPAC4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene
SMILESC=CC(OC(C=C)C(CC)CCCCCC)C(CC)CCCCCC
InChIInChI=1S/C24H46O/c1-7-13-15-17-19-21(9-3)23(11-5)25-24(12-6)22(10-4)20-18-16-14-8-2/h11-12,21-24H,5-10,13-20H2,1-4H3
InChIKeyLEDUPTQSJCWSOR-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.11
Rot. Bonds18

About 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene

4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene (PubChem CID 141127853) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene.

Molecular Properties

Compound Name4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene
PubChem CID141127853
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene
SMILESC=CC(OC(C=C)C(CC)CCCCCC)C(CC)CCCCCC
InChIInChI=1S/C24H46O/c1-7-13-15-17-19-21(9-3)23(11-5)25-24(12-6)22(10-4)20-18-16-14-8-2/h11-12,21-24H,5-10,13-20H2,1-4H3
InChIKeyLEDUPTQSJCWSOR-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene?
The IUPAC name of 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene (CID 141127853) is 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene.
What is the SMILES notation for 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene?
The canonical SMILES for 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene is C=CC(OC(C=C)C(CC)CCCCCC)C(CC)CCCCCC.
What is the InChIKey of 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene?
The InChIKey is LEDUPTQSJCWSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-7-13-15-17-19-21(9-3)23(11-5)25-24(12-6)22(10-4)20-18-16-14-8-2/h11-12,21-24H,5-10,13-20H2,1-4H3.
What are the key properties of 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene?
4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene has a molecular weight of 350.63 g/mol, XLogP of 8.11, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene is sourced from PubChem (CID 141127853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).