1-dodecylcyclopentene

C17H32 — CID 54360767

IUPAC1-dodecylcyclopentene
SMILESCCCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C17H32/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17/h15H,2-14,16H2,1H3
InChIKeyGKBGDXZVDXAMKL-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.41
Rot. Bonds11

About 1-dodecylcyclopentene

1-dodecylcyclopentene (PubChem CID 54360767) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-dodecylcyclopentene.

Molecular Properties

Compound Name1-dodecylcyclopentene
PubChem CID54360767
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-dodecylcyclopentene
SMILESCCCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C17H32/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17/h15H,2-14,16H2,1H3
InChIKeyGKBGDXZVDXAMKL-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.41
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-dodecylcyclopentene?
The IUPAC name of 1-dodecylcyclopentene (CID 54360767) is 1-dodecylcyclopentene.
What is the SMILES notation for 1-dodecylcyclopentene?
The canonical SMILES for 1-dodecylcyclopentene is CCCCCCCCCCCCC1=CCCC1.
What is the InChIKey of 1-dodecylcyclopentene?
The InChIKey is GKBGDXZVDXAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17/h15H,2-14,16H2,1H3.
What are the key properties of 1-dodecylcyclopentene?
1-dodecylcyclopentene has a molecular weight of 236.44 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylcyclopentene is sourced from PubChem (CID 54360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).