1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride

C9H16Cl2 — CID 159301081

IUPAC1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
SMILESCC1(C)C2CCC1(Cl)CC2.Cl
InChIInChI=1S/C9H15Cl.ClH/c1-8(2)7-3-5-9(8,10)6-4-7;/h7H,3-6H2,1-2H3;1H
InChIKeyLBIONDBGNZDXCS-UHFFFAOYSA-N
MW195.13 g/mol
LogP3.62
Rot. Bonds

About 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride

1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride (PubChem CID 159301081) has the molecular formula C9H16Cl2 and a molecular weight of 195.13 g/mol. Its IUPAC name is 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
PubChem CID159301081
Molecular FormulaC9H16Cl2
Molecular Weight195.13 g/mol
Exact Mass194.06
IUPAC Name1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
SMILESCC1(C)C2CCC1(Cl)CC2.Cl
InChIInChI=1S/C9H15Cl.ClH/c1-8(2)7-3-5-9(8,10)6-4-7;/h7H,3-6H2,1-2H3;1H
InChIKeyLBIONDBGNZDXCS-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane
CID 54000312
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylmethanamine;hydrochloride
CID 155858598
chloro-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)silane
CID 172778612
1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane
CID 121016313
2-[(1R,2R,4S)-2-chloro-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethanamine;hydrochloride
CID 70620543
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
CID 15105152
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
2-chloro-1-(chloromethyl)-7,7-dimethylbicyclo[2.2.1]heptane
CID 6451629
1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 55279434

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride (CID 159301081) is 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride is CC1(C)C2CCC1(Cl)CC2.Cl.
What is the InChIKey of 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is LBIONDBGNZDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl.ClH/c1-8(2)7-3-5-9(8,10)6-4-7;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride?
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 195.13 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 159301081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).