3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

C11H13Cl3 — CID 69278155

IUPAC3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21
InChIInChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2
InChIKeyDBQIVJZFRSYRJY-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.20
Rot. Bonds

About 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 69278155) has the molecular formula C11H13Cl3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID69278155
Molecular FormulaC11H13Cl3
Molecular Weight251.58 g/mol
Exact Mass250.01
IUPAC Name3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21
InChIInChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2
InChIKeyDBQIVJZFRSYRJY-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.20
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

pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
tetracyclo[7.2.1.02,8.03,6]dodec-10-ene
CID 173019207
4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undec-9-en-3-ol
CID 58621728
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
CID 154525054
heptacyclo[13.2.2.13,13.16,9.02,14.04,12.05,10]henicos-7-ene
CID 154522326
3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene
CID 141155821
(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
CID 15351281
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620

Frequently Asked Questions

What is the IUPAC name of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (CID 69278155) is 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is ClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21.
What is the InChIKey of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is DBQIVJZFRSYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2.
What are the key properties of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 251.58 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 69278155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).