1-tridecylcyclopropene

C16H30 — CID 22621692

IUPAC1-tridecylcyclopropene
SMILESCCCCCCCCCCCCCC1=CC1
InChIInChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-16/h14H,2-13,15H2,1H3
InChIKeyKHLKKZHLYIPFCS-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.02
Rot. Bonds12

About 1-tridecylcyclopropene

1-tridecylcyclopropene (PubChem CID 22621692) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-tridecylcyclopropene.

Molecular Properties

Compound Name1-tridecylcyclopropene
PubChem CID22621692
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-tridecylcyclopropene
SMILESCCCCCCCCCCCCCC1=CC1
InChIInChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-16/h14H,2-13,15H2,1H3
InChIKeyKHLKKZHLYIPFCS-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.02
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-dodecylcyclopropene
CID 22621656
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-tridecylcyclopropene?
The IUPAC name of 1-tridecylcyclopropene (CID 22621692) is 1-tridecylcyclopropene.
What is the SMILES notation for 1-tridecylcyclopropene?
The canonical SMILES for 1-tridecylcyclopropene is CCCCCCCCCCCCCC1=CC1.
What is the InChIKey of 1-tridecylcyclopropene?
The InChIKey is KHLKKZHLYIPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-16/h14H,2-13,15H2,1H3.
What are the key properties of 1-tridecylcyclopropene?
1-tridecylcyclopropene has a molecular weight of 222.42 g/mol, XLogP of 6.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylcyclopropene is sourced from PubChem (CID 22621692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).