7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane

C10H16Br2 — CID 174620142

IUPAC7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(CBr)CBr
InChIInChI=1S/C10H16Br2/c1-9-4-2-8(3-5-9)10(9,6-11)7-12/h8H,2-7H2,1H3
InChIKeyAIEGNWSXNIXHFS-UHFFFAOYSA-N
MW296.05 g/mol
LogP3.97
Rot. Bonds2

About 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane

7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane (PubChem CID 174620142) has the molecular formula C10H16Br2 and a molecular weight of 296.05 g/mol. Its IUPAC name is 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
PubChem CID174620142
Molecular FormulaC10H16Br2
Molecular Weight296.05 g/mol
Exact Mass293.96
IUPAC Name7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(CBr)CBr
InChIInChI=1S/C10H16Br2/c1-9-4-2-8(3-5-9)10(9,6-11)7-12/h8H,2-7H2,1H3
InChIKeyAIEGNWSXNIXHFS-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 53.97
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

1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 99960802
(1R,2S,4R,7R)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 125033645
3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
CID 57072074
(1S,7S)-1,7-bis(bromomethyl)-7-methylbicyclo[2.2.1]heptan-2-one
CID 117059676
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 2778023
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
CID 130583351

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane?
The IUPAC name of 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane (CID 174620142) is 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane is CC12CCC(CC1)C2(CBr)CBr.
What is the InChIKey of 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane?
The InChIKey is AIEGNWSXNIXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2/c1-9-4-2-8(3-5-9)10(9,6-11)7-12/h8H,2-7H2,1H3.
What are the key properties of 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane?
7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane has a molecular weight of 296.05 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 174620142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).