[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate

C12H18O3 — CID 13146631

IUPAC[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCC(=O)OC1=C[C@@H](C)OC12CCCCC2
InChIInChI=1S/C12H18O3/c1-9-8-11(14-10(2)13)12(15-9)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJFNWTTIDPIYNJX-SECBINFHSA-N
MW210.27 g/mol
LogP2.56
Rot. Bonds1

About [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate

[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate (PubChem CID 13146631) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
PubChem CID13146631
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCC(=O)OC1=C[C@@H](C)OC12CCCCC2
InChIInChI=1S/C12H18O3/c1-9-8-11(14-10(2)13)12(15-9)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJFNWTTIDPIYNJX-SECBINFHSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
Qzncqewlhcxerh-uhfffaoysa-
CID 400248
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
4-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13300108
[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 14891633
[(2R)-5,5-dimethyl-2-pentyl-2H-furan-4-yl] acetate
CID 14891636
2-Cyclohexyl-3-methoxy-2,5-dihydrofuran
CID 102055860
(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
CID 102183559
[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
CID 102186232
4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 10868648
4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 11010380
4-[(E)-pent-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 11064401

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The IUPAC name of [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate (CID 13146631) is [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate.
What is the SMILES notation for [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The canonical SMILES for [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate is CC(=O)OC1=C[C@@H](C)OC12CCCCC2.
What is the InChIKey of [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The InChIKey is JFNWTTIDPIYNJX-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-8-11(14-10(2)13)12(15-9)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate has a molecular weight of 210.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate is sourced from PubChem (CID 13146631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).