5,5-dibutyl-1-propylcyclopentene

C16H30 — CID 159049930

IUPAC5,5-dibutyl-1-propylcyclopentene
SMILESCCCCC1(CCCC)CCC=C1CCC
InChIInChI=1S/C16H30/c1-4-7-12-16(13-8-5-2)14-9-11-15(16)10-6-3/h11H,4-10,12-14H2,1-3H3
InChIKeyDCLCIYUBLLOAKZ-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.87
Rot. Bonds8

About 5,5-dibutyl-1-propylcyclopentene

5,5-dibutyl-1-propylcyclopentene (PubChem CID 159049930) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5,5-dibutyl-1-propylcyclopentene.

Molecular Properties

Compound Name5,5-dibutyl-1-propylcyclopentene
PubChem CID159049930
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5,5-dibutyl-1-propylcyclopentene
SMILESCCCCC1(CCCC)CCC=C1CCC
InChIInChI=1S/C16H30/c1-4-7-12-16(13-8-5-2)14-9-11-15(16)10-6-3/h11H,4-10,12-14H2,1-3H3
InChIKeyDCLCIYUBLLOAKZ-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-butylbicyclo[3.2.0]hept-1-ene
CID 163774181
N-(2-butyl-1-methylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 134998503
3,3-dibutylcyclohexene
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1-hexylcyclobutene
CID 86205685
1,3-dipropylcyclohex-3-en-1-ol
CID 101312174
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
CID 141421761
(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one
CID 15156308
9-butyl-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]non-8-ene
CID 101421703
11-butyl-1-tert-butylsulfonyl-1-azaspiro[5.5]undec-10-ene
CID 25105294
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-butylcyclononene
CID 56981158

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-1-propylcyclopentene?
The IUPAC name of 5,5-dibutyl-1-propylcyclopentene (CID 159049930) is 5,5-dibutyl-1-propylcyclopentene.
What is the SMILES notation for 5,5-dibutyl-1-propylcyclopentene?
The canonical SMILES for 5,5-dibutyl-1-propylcyclopentene is CCCCC1(CCCC)CCC=C1CCC.
What is the InChIKey of 5,5-dibutyl-1-propylcyclopentene?
The InChIKey is DCLCIYUBLLOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-7-12-16(13-8-5-2)14-9-11-15(16)10-6-3/h11H,4-10,12-14H2,1-3H3.
What are the key properties of 5,5-dibutyl-1-propylcyclopentene?
5,5-dibutyl-1-propylcyclopentene has a molecular weight of 222.42 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-1-propylcyclopentene is sourced from PubChem (CID 159049930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).