(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene

C10H15BrO — CID 134964195

IUPAC(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CCC2CC1O[C@@]2(C)CBr
InChIInChI=1S/C10H15BrO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyXARHFPKYJNXBPG-RTBKNWGFSA-N
MW231.13 g/mol
LogP2.90
Rot. Bonds1

About (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene

(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene (PubChem CID 134964195) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
PubChem CID134964195
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CCC2CC1O[C@@]2(C)CBr
InChIInChI=1S/C10H15BrO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyXARHFPKYJNXBPG-RTBKNWGFSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 13220762
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
CID 73189547
(1R,4S,5R)-2,2,6-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-ene
CID 7077774
4-(4-methoxyphenyl)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 86193191
4-[(1R,2R,5R)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 927532
4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 15942662
(Z)-5-[(1S,5S,6S)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enoic acid
CID 163039934
(Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-enoic acid
CID 122391231
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
(1R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]hept-2-ene;ethane
CID 142872108
(1S)-2,6-dimethyl-2-(3-methylbut-2-enyl)-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]non-6-ene;(1S)-2-methyl-2-(3-methylbut-2-enyl)-6-methylidene-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]nonane
CID 131664903

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The IUPAC name of (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene (CID 134964195) is (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene is CC1=CCC2CC1O[C@@]2(C)CBr.
What is the InChIKey of (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The InChIKey is XARHFPKYJNXBPG-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H15BrO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3/t8?,9?,10-/m0/s1.
What are the key properties of (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene has a molecular weight of 231.13 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 134964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).