6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

C10H15Cl — CID 4533559

IUPAC6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(Cl)C(C2)C1(C)C
InChIInChI=1S/C10H15Cl/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-9H,1,4-5H2,2-3H3
InChIKeyPBVQWHZVWMIXOR-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds

About 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 4533559) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID4533559
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(Cl)C(C2)C1(C)C
InChIInChI=1S/C10H15Cl/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-9H,1,4-5H2,2-3H3
InChIKeyPBVQWHZVWMIXOR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

1-Chloro-2-methylene-3,3-dimethylbicyclo(2.2.1)heptane
CID 138097
1-Chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 22641151
1-Chloro-3-(chloromethylidene)-2,2-bis(trichloromethyl)bicyclo[2.2.1]heptane
CID 54217382
Parlar 11
CID 5375921
(Z)-10-Chlorcamphen
CID 12940264
1-Chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
CID 91468895
Heptachlor-camphen
CID 129643580
Parlar 25
CID 6442265
2-Chloro-3-ethenylbicyclo[2.2.1]heptane
CID 429152
5,5,6-Exo,8,8,9,9,10-octachlorocamphene
CID 91751015
5,5,6-Exo,8,9,9,10-heptachlorocamphene
CID 91751016
5-Exo,6-endo,7-anti,8,9,10-hexachlorocamphene
CID 91751017

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 4533559) is 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CC(Cl)C(C2)C1(C)C.
What is the InChIKey of 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is PBVQWHZVWMIXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 170.68 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 4533559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).