1-pentylcyclopropene

C16H28 — CID 159067584

IUPAC1-pentylcyclopropene
SMILESCCCCCC1=CC1.CCCCCC1=CC1
InChIInChI=1S/2C8H14/c2*1-2-3-4-5-8-6-7-8/h2*6H,2-5,7H2,1H3
InChIKeyJZGHBHWCVHAOPS-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.79
Rot. Bonds8

About 1-pentylcyclopropene

1-pentylcyclopropene (PubChem CID 159067584) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-pentylcyclopropene.

Molecular Properties

Compound Name1-pentylcyclopropene
PubChem CID159067584
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-pentylcyclopropene
SMILESCCCCCC1=CC1.CCCCCC1=CC1
InChIInChI=1S/2C8H14/c2*1-2-3-4-5-8-6-7-8/h2*6H,2-5,7H2,1H3
InChIKeyJZGHBHWCVHAOPS-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.79
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-dodecylcyclopropene
CID 22621656
4-pentylcyclohex-3-en-1-one
CID 15219552
1-hexylcyclobutene
CID 86205685
4-dodecylcyclohex-3-en-1-one
CID 83262280
1-pentylcyclododecene
CID 150654776
1-octylcyclohexene
CID 519088
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
CID 123827453
5,7-dichloro-2-pentyl-1,4-dihydronaphthalene
CID 139948672
3,3,4,4,5,5,6,6-octadeuterio-1-nonylcyclohexene
CID 150348371

Frequently Asked Questions

What is the IUPAC name of 1-pentylcyclopropene?
The IUPAC name of 1-pentylcyclopropene (CID 159067584) is 1-pentylcyclopropene.
What is the SMILES notation for 1-pentylcyclopropene?
The canonical SMILES for 1-pentylcyclopropene is CCCCCC1=CC1.CCCCCC1=CC1.
What is the InChIKey of 1-pentylcyclopropene?
The InChIKey is JZGHBHWCVHAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14/c2*1-2-3-4-5-8-6-7-8/h2*6H,2-5,7H2,1H3.
What are the key properties of 1-pentylcyclopropene?
1-pentylcyclopropene has a molecular weight of 220.40 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylcyclopropene is sourced from PubChem (CID 159067584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).