16-ethylhenicos-6-ene

C23H46 — CID 173194293

IUPAC16-ethylhenicos-6-ene
SMILESCCCCCC=CCCCCCCCCC(CC)CCCCC
InChIInChI=1S/C23H46/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-22-23(6-3)21-19-8-5-2/h11-12,23H,4-10,13-22H2,1-3H3
InChIKeyYCQBXUKDLNXKRC-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.85
Rot. Bonds18

About 16-ethylhenicos-6-ene

16-ethylhenicos-6-ene (PubChem CID 173194293) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 16-ethylhenicos-6-ene.

Molecular Properties

Compound Name16-ethylhenicos-6-ene
PubChem CID173194293
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name16-ethylhenicos-6-ene
SMILESCCCCCC=CCCCCCCCCC(CC)CCCCC
InChIInChI=1S/C23H46/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-22-23(6-3)21-19-8-5-2/h11-12,23H,4-10,13-22H2,1-3H3
InChIKeyYCQBXUKDLNXKRC-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.85
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

(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
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(E)-5,22-diethylhexacos-11-ene
CID 173194569
15,19-diethyltetracos-2-ene
CID 173194589
11-ethyltetradec-4-ene
CID 123216279
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-octadec-9-enylpentane-1,5-diol
CID 91381537
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of 16-ethylhenicos-6-ene?
The IUPAC name of 16-ethylhenicos-6-ene (CID 173194293) is 16-ethylhenicos-6-ene.
What is the SMILES notation for 16-ethylhenicos-6-ene?
The canonical SMILES for 16-ethylhenicos-6-ene is CCCCCC=CCCCCCCCCC(CC)CCCCC.
What is the InChIKey of 16-ethylhenicos-6-ene?
The InChIKey is YCQBXUKDLNXKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-22-23(6-3)21-19-8-5-2/h11-12,23H,4-10,13-22H2,1-3H3.
What are the key properties of 16-ethylhenicos-6-ene?
16-ethylhenicos-6-ene has a molecular weight of 322.62 g/mol, XLogP of 8.85, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethylhenicos-6-ene is sourced from PubChem (CID 173194293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).