10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol

C10H15BrO2 — CID 71380044

IUPAC10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
SMILESOC12CC=CCC(O)(CCC1)C2Br
InChIInChI=1S/C10H15BrO2/c11-8-9(12)4-1-2-5-10(8,13)7-3-6-9/h1-2,8,12-13H,3-7H2
InChIKeyMCNRCXBAEILLRL-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.75
Rot. Bonds

About 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol

10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol (PubChem CID 71380044) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol.

Molecular Properties

Compound Name10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
PubChem CID71380044
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
SMILESOC12CC=CCC(O)(CCC1)C2Br
InChIInChI=1S/C10H15BrO2/c11-8-9(12)4-1-2-5-10(8,13)7-3-6-9/h1-2,8,12-13H,3-7H2
InChIKeyMCNRCXBAEILLRL-UHFFFAOYSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol?
The IUPAC name of 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol (CID 71380044) is 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol.
What is the SMILES notation for 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol?
The canonical SMILES for 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol is OC12CC=CCC(O)(CCC1)C2Br.
What is the InChIKey of 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol?
The InChIKey is MCNRCXBAEILLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c11-8-9(12)4-1-2-5-10(8,13)7-3-6-9/h1-2,8,12-13H,3-7H2.
What are the key properties of 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol?
10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol has a molecular weight of 247.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol is sourced from PubChem (CID 71380044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).