(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one

C12H15BrO2 — CID 11254253

IUPAC(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC(C)[C@H]1CC[C@]2(C=CC(=O)C(Br)=C2)O1
InChIInChI=1S/C12H15BrO2/c1-8(2)11-4-6-12(15-11)5-3-10(14)9(13)7-12/h3,5,7-8,11H,4,6H2,1-2H3/t11-,12+/m1/s1
InChIKeyUZKVCDYSAKGPRP-NEPJUHHUSA-N
MW271.15 g/mol
LogP2.98
Rot. Bonds1

About (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one

(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 11254253) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID11254253
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC(C)[C@H]1CC[C@]2(C=CC(=O)C(Br)=C2)O1
InChIInChI=1S/C12H15BrO2/c1-8(2)11-4-6-12(15-11)5-3-10(14)9(13)7-12/h3,5,7-8,11H,4,6H2,1-2H3/t11-,12+/m1/s1
InChIKeyUZKVCDYSAKGPRP-NEPJUHHUSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 11254253) is (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one is CC(C)[C@H]1CC[C@]2(C=CC(=O)C(Br)=C2)O1.
What is the InChIKey of (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is UZKVCDYSAKGPRP-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-8(2)11-4-6-12(15-11)5-3-10(14)9(13)7-12/h3,5,7-8,11H,4,6H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
(2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 271.15 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-7-bromo-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 11254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).