1-hexadecylcyclopentene

C21H40 — CID 19000578

IUPAC1-hexadecylcyclopentene
SMILESCCCCCCCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C21H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-21/h19H,2-18,20H2,1H3
InChIKeyWNJGQGYXAILVPK-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.97
Rot. Bonds15

About 1-hexadecylcyclopentene

1-hexadecylcyclopentene (PubChem CID 19000578) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-hexadecylcyclopentene.

Molecular Properties

Compound Name1-hexadecylcyclopentene
PubChem CID19000578
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-hexadecylcyclopentene
SMILESCCCCCCCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C21H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-21/h19H,2-18,20H2,1H3
InChIKeyWNJGQGYXAILVPK-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.97
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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Frequently Asked Questions

What is the IUPAC name of 1-hexadecylcyclopentene?
The IUPAC name of 1-hexadecylcyclopentene (CID 19000578) is 1-hexadecylcyclopentene.
What is the SMILES notation for 1-hexadecylcyclopentene?
The canonical SMILES for 1-hexadecylcyclopentene is CCCCCCCCCCCCCCCCC1=CCCC1.
What is the InChIKey of 1-hexadecylcyclopentene?
The InChIKey is WNJGQGYXAILVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-21/h19H,2-18,20H2,1H3.
What are the key properties of 1-hexadecylcyclopentene?
1-hexadecylcyclopentene has a molecular weight of 292.55 g/mol, XLogP of 7.97, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecylcyclopentene is sourced from PubChem (CID 19000578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).