2-oxaspiro[4.5]decan-1-ylmethyl acetate

C12H20O3 — CID 102349423

IUPAC2-oxaspiro[4.5]decan-1-ylmethyl acetate
SMILESCC(=O)OCC1OCCC12CCCCC2
InChIInChI=1S/C12H20O3/c1-10(13)15-9-11-12(7-8-14-11)5-3-2-4-6-12/h11H,2-9H2,1H3
InChIKeyKNHWWWDPVFOJOP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds2

About 2-oxaspiro[4.5]decan-1-ylmethyl acetate

2-oxaspiro[4.5]decan-1-ylmethyl acetate (PubChem CID 102349423) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decan-1-ylmethyl acetate.

Molecular Properties

Compound Name2-oxaspiro[4.5]decan-1-ylmethyl acetate
PubChem CID102349423
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-oxaspiro[4.5]decan-1-ylmethyl acetate
SMILESCC(=O)OCC1OCCC12CCCCC2
InChIInChI=1S/C12H20O3/c1-10(13)15-9-11-12(7-8-14-11)5-3-2-4-6-12/h11H,2-9H2,1H3
InChIKeyKNHWWWDPVFOJOP-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-3-acetyloxy-3-methyloxepan-2-yl]methyl acetate
CID 100952291
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844
[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
CID 14238819
CID 42560815
CID 42560815
acetyl acetate;1-methyl-2-oxaspiro[5.5]undecane;2-oxaspiro[5.5]undecan-1-ol
CID 158762949
[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate
CID 134830529
cyclopropylmethyl acetate
CID 538333
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628

Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decan-1-ylmethyl acetate?
The IUPAC name of 2-oxaspiro[4.5]decan-1-ylmethyl acetate (CID 102349423) is 2-oxaspiro[4.5]decan-1-ylmethyl acetate.
What is the SMILES notation for 2-oxaspiro[4.5]decan-1-ylmethyl acetate?
The canonical SMILES for 2-oxaspiro[4.5]decan-1-ylmethyl acetate is CC(=O)OCC1OCCC12CCCCC2.
What is the InChIKey of 2-oxaspiro[4.5]decan-1-ylmethyl acetate?
The InChIKey is KNHWWWDPVFOJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(13)15-9-11-12(7-8-14-11)5-3-2-4-6-12/h11H,2-9H2,1H3.
What are the key properties of 2-oxaspiro[4.5]decan-1-ylmethyl acetate?
2-oxaspiro[4.5]decan-1-ylmethyl acetate has a molecular weight of 212.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decan-1-ylmethyl acetate is sourced from PubChem (CID 102349423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).