6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

C15H24Br2O2 — CID 11531348

IUPAC6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)C1CC23OC1(O)CC(Br)(CBr)C2CCC3C
InChIInChI=1S/C15H24Br2O2/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,18H,4-8H2,1-3H3
InChIKeyUTEBQJCXWZAHKB-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.08
Rot. Bonds2

About 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (PubChem CID 11531348) has the molecular formula C15H24Br2O2 and a molecular weight of 396.16 g/mol. Its IUPAC name is 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID11531348
Molecular FormulaC15H24Br2O2
Molecular Weight396.16 g/mol
Exact Mass394.01
IUPAC Name6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)C1CC23OC1(O)CC(Br)(CBr)C2CCC3C
InChIInChI=1S/C15H24Br2O2/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,18H,4-8H2,1-3H3
InChIKeyUTEBQJCXWZAHKB-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.08
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-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The IUPAC name of 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (CID 11531348) is 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.
What is the SMILES notation for 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The canonical SMILES for 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is CC(C)C1CC23OC1(O)CC(Br)(CBr)C2CCC3C.
What is the InChIKey of 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The InChIKey is UTEBQJCXWZAHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2O2/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol has a molecular weight of 396.16 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-(bromomethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is sourced from PubChem (CID 11531348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).