(3-propan-2-yloxan-2-yl) acetate

C10H18O3 — CID 91983932

IUPAC(3-propan-2-yloxan-2-yl) acetate
SMILESCC(=O)OC1OCCCC1C(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9-5-4-6-12-10(9)13-8(3)11/h7,9-10H,4-6H2,1-3H3
InChIKeyXCAJIKBGFLQVCA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds2

About (3-propan-2-yloxan-2-yl) acetate

(3-propan-2-yloxan-2-yl) acetate (PubChem CID 91983932) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3-propan-2-yloxan-2-yl) acetate.

Molecular Properties

Compound Name(3-propan-2-yloxan-2-yl) acetate
PubChem CID91983932
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3-propan-2-yloxan-2-yl) acetate
SMILESCC(=O)OC1OCCCC1C(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9-5-4-6-12-10(9)13-8(3)11/h7,9-10H,4-6H2,1-3H3
InChIKeyXCAJIKBGFLQVCA-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorooxan-2-yl) acetate
CID 134578078
acetic acid;3-propan-2-yloxan-2-ol
CID 71379645
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886
[(2S,3R)-2-acetyloxyoxan-3-yl] (2S)-2-hydroxy-2-phenylacetate
CID 16743876
[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
CID 10901352
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
acetic acid;[(2S,3S)-2-bromooxan-3-yl] acetate
CID 170946970
(1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-4-yl) acetate
CID 12832902
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 176780580

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxan-2-yl) acetate?
The IUPAC name of (3-propan-2-yloxan-2-yl) acetate (CID 91983932) is (3-propan-2-yloxan-2-yl) acetate.
What is the SMILES notation for (3-propan-2-yloxan-2-yl) acetate?
The canonical SMILES for (3-propan-2-yloxan-2-yl) acetate is CC(=O)OC1OCCCC1C(C)C.
What is the InChIKey of (3-propan-2-yloxan-2-yl) acetate?
The InChIKey is XCAJIKBGFLQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9-5-4-6-12-10(9)13-8(3)11/h7,9-10H,4-6H2,1-3H3.
What are the key properties of (3-propan-2-yloxan-2-yl) acetate?
(3-propan-2-yloxan-2-yl) acetate has a molecular weight of 186.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxan-2-yl) acetate is sourced from PubChem (CID 91983932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).