5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene

C10H15Cl — CID 21396926

IUPAC5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1(CCl)CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-2-10(7-11)6-8-3-4-9(10)5-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyHNTAHGUASKRLFK-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds2

About 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene

5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene (PubChem CID 21396926) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene
PubChem CID21396926
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1(CCl)CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-2-10(7-11)6-8-3-4-9(10)5-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyHNTAHGUASKRLFK-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.22
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

Bicyclo[2.2.1]hept-2-ene, 5,6-bis(chloromethyl)-
CID 548684
1-(Chloromethyl)bicyclo(2.2.1)hept-2-ene
CID 23128472
5-(Chloromethyl)-2-norbornene
CID 253528
(1R,2S,6R,7S)-4-(chloromethyl)tricyclo(5.2.1.0,2,6)dec-8-ene
CID 12950376
Chlorobornene
CID 67613377
5-(4-Chloro-3,3,4,4-tetrafluoro-2-methylbutan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 89883858
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
(1R,4S)-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 44139150
Hexachlorobornene
CID 129631524
8-Chlorcamphen
CID 129631532

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene (CID 21396926) is 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene is CCC1(CCl)CC2C=CC1C2.
What is the InChIKey of 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is HNTAHGUASKRLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-10(7-11)6-8-3-4-9(10)5-8/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene?
5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 170.68 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-5-ethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).