5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene

C15H23Cl — CID 18413329

IUPAC5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene
SMILESClCCCC1(C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C15H23Cl/c16-9-3-8-15(6-1-2-7-15)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2
InChIKeyWNHDGAQWILSZOA-UHFFFAOYSA-N
MW238.80 g/mol
LogP4.78
Rot. Bonds4

About 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene

5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 18413329) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene
PubChem CID18413329
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene
SMILESClCCCC1(C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C15H23Cl/c16-9-3-8-15(6-1-2-7-15)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2
InChIKeyWNHDGAQWILSZOA-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(Chloromethyl)-2-norbornene
CID 253528
3-Chlorotricyclo[5.2.1.02,6]dec-8-ene
CID 20401217
(1R,2S,6R,7S)-4-(chloromethyl)tricyclo(5.2.1.0,2,6)dec-8-ene
CID 12950376
5-(1,2-Dichloroethyl)bicyclo[2.2.1]hept-2-ene
CID 244822
10-Chlorotricyclo[4.2.2.0(1,5)]dec-7-ene
CID 571667
5-(2-Chloroethyl)bicyclo[2.2.1]hept-2-ene
CID 18413322
8-Chlorcamphen
CID 129631532
trans-8-Chlorocamphene
CID 129693816
10-Chlorocamphene
CID 129714266
trans-10-Chlorcamphen
CID 129889632
trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane
CID 135039547
cis-(1S,2S)-1-[(E)-4-chlorobut-2-enyl]-2-ethenyl-1,3,3-trimethylcyclopentane
CID 135050721

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene (CID 18413329) is 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene is ClCCCC1(C2CC3C=CC2C3)CCCC1.
What is the InChIKey of 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is WNHDGAQWILSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c16-9-3-8-15(6-1-2-7-15)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2.
What are the key properties of 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene?
5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 238.80 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloropropyl)cyclopentyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 18413329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).