5-pentylbicyclo[2.2.1]hept-2-ene

C12H20 — CID 13149318

IUPAC5-pentylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCC1CC2C=CC1C2
InChIInChI=1S/C12H20/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyAGEZPEIXDLBEAF-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds4

About 5-pentylbicyclo[2.2.1]hept-2-ene

5-pentylbicyclo[2.2.1]hept-2-ene (PubChem CID 13149318) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-pentylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-pentylbicyclo[2.2.1]hept-2-ene
PubChem CID13149318
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-pentylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCC1CC2C=CC1C2
InChIInChI=1S/C12H20/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyAGEZPEIXDLBEAF-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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

Dicyclopentadiene
CID 6492
5-Vinyl-2-norbornene
CID 18273
Methylcyclopentadiene dimer
CID 3033878
2,5-Dimethyldicyclopentadiene
CID 3437714
Bornylene
CID 10047
4,7-Methanoindene, 3a,4,7,7a-tetrahydro-, endo-(+)-
CID 10176158
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-, (3aalpha,4alpha,7alpha,7aalpha)-
CID 11815882
Bicyclo[2.2.1]hept-2-ene, 5-octyl-
CID 15701270
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
(+)-Guaia-6,9-diene
CID 14190790
beta-Acoradiene
CID 20055537

Frequently Asked Questions

What is the IUPAC name of 5-pentylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-pentylbicyclo[2.2.1]hept-2-ene (CID 13149318) is 5-pentylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-pentylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-pentylbicyclo[2.2.1]hept-2-ene is CCCCCC1CC2C=CC1C2.
What is the InChIKey of 5-pentylbicyclo[2.2.1]hept-2-ene?
The InChIKey is AGEZPEIXDLBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of 5-pentylbicyclo[2.2.1]hept-2-ene?
5-pentylbicyclo[2.2.1]hept-2-ene has a molecular weight of 164.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13149318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).