(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol

C11H18Br2O — CID 99960802

IUPAC(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@]1(CBr)[C@@H]2CC[C@]1(CBr)[C@](C)(O)C2
InChIInChI=1S/C11H18Br2O/c1-9(6-12)8-3-4-11(9,7-13)10(2,14)5-8/h8,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeyCUZDZUKDCNAKGY-LMLFDSFASA-N
MW326.07 g/mol
LogP3.33
Rot. Bonds2

About (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 99960802) has the molecular formula C11H18Br2O and a molecular weight of 326.07 g/mol. Its IUPAC name is (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID99960802
Molecular FormulaC11H18Br2O
Molecular Weight326.07 g/mol
Exact Mass323.97
IUPAC Name(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@]1(CBr)[C@@H]2CC[C@]1(CBr)[C@](C)(O)C2
InChIInChI=1S/C11H18Br2O/c1-9(6-12)8-3-4-11(9,7-13)10(2,14)5-8/h8,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeyCUZDZUKDCNAKGY-LMLFDSFASA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 99960802) is (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol is C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)[C@](C)(O)C2.
What is the InChIKey of (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is CUZDZUKDCNAKGY-LMLFDSFASA-N. The full InChI is InChI=1S/C11H18Br2O/c1-9(6-12)8-3-4-11(9,7-13)10(2,14)5-8/h8,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 326.07 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,7S)-1,7-bis(bromomethyl)-2,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 99960802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).