1-dodecylcyclopropene

C15H28 — CID 22621656

IUPAC1-dodecylcyclopropene
SMILESCCCCCCCCCCCCC1=CC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-15/h13H,2-12,14H2,1H3
InChIKeyPLZVMIZFNIMYGE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.63
Rot. Bonds11

About 1-dodecylcyclopropene

1-dodecylcyclopropene (PubChem CID 22621656) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-dodecylcyclopropene.

Molecular Properties

Compound Name1-dodecylcyclopropene
PubChem CID22621656
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-dodecylcyclopropene
SMILESCCCCCCCCCCCCC1=CC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-15/h13H,2-12,14H2,1H3
InChIKeyPLZVMIZFNIMYGE-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.63
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

1-tridecylcyclopropene
CID 22621692
1-pentylcyclopropene
CID 159067584
1-hexylcyclobutene
CID 86205685
4-dodecylcyclohex-3-en-1-one
CID 83262280
4-pentylcyclohex-3-en-1-one
CID 15219552
1-octylcyclohexene
CID 519088
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
CID 123827453
3,3,4,4,5,5,6,6-octadeuterio-1-nonylcyclohexene
CID 150348371
5-chloro-2-heptyl-1,4-dihydronaphthalene
CID 139960771
1-pentylcyclododecene
CID 150654776

Frequently Asked Questions

What is the IUPAC name of 1-dodecylcyclopropene?
The IUPAC name of 1-dodecylcyclopropene (CID 22621656) is 1-dodecylcyclopropene.
What is the SMILES notation for 1-dodecylcyclopropene?
The canonical SMILES for 1-dodecylcyclopropene is CCCCCCCCCCCCC1=CC1.
What is the InChIKey of 1-dodecylcyclopropene?
The InChIKey is PLZVMIZFNIMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-15/h13H,2-12,14H2,1H3.
What are the key properties of 1-dodecylcyclopropene?
1-dodecylcyclopropene has a molecular weight of 208.39 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylcyclopropene is sourced from PubChem (CID 22621656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).