6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

C15H25BrO2 — CID 11565925

IUPAC6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)C1CC23OC1(O)CC(C)(Br)C2CCC3C
InChIInChI=1S/C15H25BrO2/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,17H,5-8H2,1-4H3
InChIKeyMRYCZPMGQZILSY-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.71
Rot. Bonds1

About 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (PubChem CID 11565925) has the molecular formula C15H25BrO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID11565925
Molecular FormulaC15H25BrO2
Molecular Weight317.27 g/mol
Exact Mass316.10
IUPAC Name6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)C1CC23OC1(O)CC(C)(Br)C2CCC3C
InChIInChI=1S/C15H25BrO2/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,17H,5-8H2,1-4H3
InChIKeyMRYCZPMGQZILSY-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The IUPAC name of 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (CID 11565925) is 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.
What is the SMILES notation for 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The canonical SMILES for 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is CC(C)C1CC23OC1(O)CC(C)(Br)C2CCC3C.
What is the InChIKey of 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The InChIKey is MRYCZPMGQZILSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol has a molecular weight of 317.27 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is sourced from PubChem (CID 11565925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).