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

C11H15Cl — CID 69277544

IUPAC3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClCC1CCC2C3C=CC(C3)C12
InChIInChI=1S/C11H15Cl/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,7-11H,3-6H2
InChIKeyITGOLVBGWSANNB-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.07
Rot. Bonds1

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

3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 69277544) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID69277544
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClCC1CCC2C3C=CC(C3)C12
InChIInChI=1S/C11H15Cl/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,7-11H,3-6H2
InChIKeyITGOLVBGWSANNB-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.07
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

2,3,3a,4,7,7a-Hexahydro-4,7-methano-1H-indene
CID 86868
Bicyclo[2.2.1]hept-2-ene, 5,6-bis(chloromethyl)-
CID 548684
4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-
CID 10920556
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
(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-8-ene
CID 11094666
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
(1R,7S)-tricyclo[5.2.1.02,6]dec-8-ene
CID 11286487
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

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (CID 69277544) is 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is ClCC1CCC2C3C=CC(C3)C12.
What is the InChIKey of 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is ITGOLVBGWSANNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,7-11H,3-6H2.
What are the key properties of 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 182.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 69277544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).