6-oxaspiro[2.5]octan-2-ylmethyl acetate

C10H16O3 — CID 131042123

IUPAC6-oxaspiro[2.5]octan-2-ylmethyl acetate
SMILESCC(=O)OCC1CC12CCOCC2
InChIInChI=1S/C10H16O3/c1-8(11)13-7-9-6-10(9)2-4-12-5-3-10/h9H,2-7H2,1H3
InChIKeyILJVQNCCBQOSMK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.37
Rot. Bonds2

About 6-oxaspiro[2.5]octan-2-ylmethyl acetate

6-oxaspiro[2.5]octan-2-ylmethyl acetate (PubChem CID 131042123) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-oxaspiro[2.5]octan-2-ylmethyl acetate.

Molecular Properties

Compound Name6-oxaspiro[2.5]octan-2-ylmethyl acetate
PubChem CID131042123
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-oxaspiro[2.5]octan-2-ylmethyl acetate
SMILESCC(=O)OCC1CC12CCOCC2
InChIInChI=1S/C10H16O3/c1-8(11)13-7-9-6-10(9)2-4-12-5-3-10/h9H,2-7H2,1H3
InChIKeyILJVQNCCBQOSMK-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
2-oxaspiro[4.5]decan-1-ylmethyl acetate
CID 102349423
N,N-dimethyl-1-(6-oxaspiro[2.5]octan-2-yl)methanamine
CID 131182851
1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653555
[(5R)-4,4-dimethyl-1,3-dioxan-5-yl]methyl acetate
CID 10419969
3-[3-(6-oxaspiro[2.5]octan-2-ylmethylamino)phenyl]propyl acetate
CID 146142462
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
CID 20578019
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
2-(7-oxaspiro[2.6]nonan-2-yl)ethanamine
CID 83827138
2-(2-methylprop-2-enyl)-1-(6-oxaspiro[2.5]octan-2-ylmethyl)guanidine
CID 122082872
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[2.5]octan-2-ylmethyl acetate?
The IUPAC name of 6-oxaspiro[2.5]octan-2-ylmethyl acetate (CID 131042123) is 6-oxaspiro[2.5]octan-2-ylmethyl acetate.
What is the SMILES notation for 6-oxaspiro[2.5]octan-2-ylmethyl acetate?
The canonical SMILES for 6-oxaspiro[2.5]octan-2-ylmethyl acetate is CC(=O)OCC1CC12CCOCC2.
What is the InChIKey of 6-oxaspiro[2.5]octan-2-ylmethyl acetate?
The InChIKey is ILJVQNCCBQOSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(11)13-7-9-6-10(9)2-4-12-5-3-10/h9H,2-7H2,1H3.
What are the key properties of 6-oxaspiro[2.5]octan-2-ylmethyl acetate?
6-oxaspiro[2.5]octan-2-ylmethyl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[2.5]octan-2-ylmethyl acetate is sourced from PubChem (CID 131042123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).