10-butyl-11-ethyldocos-10-ene

C28H56 — CID 57219160

IUPAC10-butyl-11-ethyldocos-10-ene
SMILESCCCCCCCCCCCC(CC)=C(CCCC)CCCCCCCCC
InChIInChI=1S/C28H56/c1-5-9-12-14-16-17-19-20-22-25-27(8-4)28(24-11-7-3)26-23-21-18-15-13-10-6-2/h5-26H2,1-4H3
InChIKeyFEUSYAOQQRSKSP-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.94
Rot. Bonds22

About 10-butyl-11-ethyldocos-10-ene

10-butyl-11-ethyldocos-10-ene (PubChem CID 57219160) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 10-butyl-11-ethyldocos-10-ene.

Molecular Properties

Compound Name10-butyl-11-ethyldocos-10-ene
PubChem CID57219160
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name10-butyl-11-ethyldocos-10-ene
SMILESCCCCCCCCCCCC(CC)=C(CCCC)CCCCCCCCC
InChIInChI=1S/C28H56/c1-5-9-12-14-16-17-19-20-22-25-27(8-4)28(24-11-7-3)26-23-21-18-15-13-10-6-2/h5-26H2,1-4H3
InChIKeyFEUSYAOQQRSKSP-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-7-ethyltetradec-6-ene
CID 57142303
5,6-dibutyltetradec-5-ene
CID 19866346
9,10-dioctyloctadec-9-ene
CID 10814462
(E)-3-ethyl-2-hexylnon-2-enoic acid
CID 21314370
3-ethyl-2-hexyloctadec-2-enoic acid
CID 87170492
2,3-diethylnon-2-enoic acid
CID 150517342
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
(E)-3-ethyl-2-methylnon-2-enoate
CID 18356641
5-ethyl-4-methylnon-4-ene
CID 143021471
bromo-(2-butyl-3-octylundec-2-enyl)-octylborane
CID 135048100
dodecan-5-one
CID 29771
10-methyl-9-propylicos-9-ene
CID 57290137

Frequently Asked Questions

What is the IUPAC name of 10-butyl-11-ethyldocos-10-ene?
The IUPAC name of 10-butyl-11-ethyldocos-10-ene (CID 57219160) is 10-butyl-11-ethyldocos-10-ene.
What is the SMILES notation for 10-butyl-11-ethyldocos-10-ene?
The canonical SMILES for 10-butyl-11-ethyldocos-10-ene is CCCCCCCCCCCC(CC)=C(CCCC)CCCCCCCCC.
What is the InChIKey of 10-butyl-11-ethyldocos-10-ene?
The InChIKey is FEUSYAOQQRSKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-5-9-12-14-16-17-19-20-22-25-27(8-4)28(24-11-7-3)26-23-21-18-15-13-10-6-2/h5-26H2,1-4H3.
What are the key properties of 10-butyl-11-ethyldocos-10-ene?
10-butyl-11-ethyldocos-10-ene has a molecular weight of 392.76 g/mol, XLogP of 10.94, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-11-ethyldocos-10-ene is sourced from PubChem (CID 57219160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).