(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one

C11H16O2 — CID 138984713

IUPAC(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one
SMILESC[C@@H]1C=CC(=O)OC12CCCCC2
InChIInChI=1S/C11H16O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyMKNRQWRULQRSDG-SECBINFHSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds

About (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one

(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one (PubChem CID 138984713) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one
PubChem CID138984713
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one
SMILESC[C@@H]1C=CC(=O)OC12CCCCC2
InChIInChI=1S/C11H16O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyMKNRQWRULQRSDG-SECBINFHSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one?
The IUPAC name of (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one (CID 138984713) is (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one.
What is the SMILES notation for (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one?
The canonical SMILES for (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one is C[C@@H]1C=CC(=O)OC12CCCCC2.
What is the InChIKey of (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one?
The InChIKey is MKNRQWRULQRSDG-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one?
(5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-oxaspiro[5.5]undec-3-en-2-one is sourced from PubChem (CID 138984713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).