(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C11H16Br2O — CID 98167930

IUPAC(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C=C(Br)Br)[C@@H](O)C2
InChIInChI=1S/C11H16Br2O/c1-10(2)7-3-4-11(10,6-9(12)13)8(14)5-7/h6-8,14H,3-5H2,1-2H3/t7-,8-,11+/m0/s1
InChIKeyHUAYCXOWHWKRMY-DKCNOQQISA-N
MW324.06 g/mol
LogP3.80
Rot. Bonds1

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

(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 98167930) has the molecular formula C11H16Br2O and a molecular weight of 324.06 g/mol. Its IUPAC name is (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID98167930
Molecular FormulaC11H16Br2O
Molecular Weight324.06 g/mol
Exact Mass321.96
IUPAC Name(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C=C(Br)Br)[C@@H](O)C2
InChIInChI=1S/C11H16Br2O/c1-10(2)7-3-4-11(10,6-9(12)13)8(14)5-7/h6-8,14H,3-5H2,1-2H3/t7-,8-,11+/m0/s1
InChIKeyHUAYCXOWHWKRMY-DKCNOQQISA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 98167930) is (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@@]1(C=C(Br)Br)[C@@H](O)C2.
What is the InChIKey of (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is HUAYCXOWHWKRMY-DKCNOQQISA-N. The full InChI is InChI=1S/C11H16Br2O/c1-10(2)7-3-4-11(10,6-9(12)13)8(14)5-7/h6-8,14H,3-5H2,1-2H3/t7-,8-,11+/m0/s1.
What are the key properties of (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 324.06 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 98167930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).