5-(oxan-3-yl)pentan-2-yl acetate

C12H22O3 — CID 69403351

IUPAC5-(oxan-3-yl)pentan-2-yl acetate
SMILESCC(=O)OC(C)CCCC1CCCOC1
InChIInChI=1S/C12H22O3/c1-10(15-11(2)13)5-3-6-12-7-4-8-14-9-12/h10,12H,3-9H2,1-2H3
InChIKeyDWPORGLAYDTQKK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About 5-(oxan-3-yl)pentan-2-yl acetate

5-(oxan-3-yl)pentan-2-yl acetate (PubChem CID 69403351) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 5-(oxan-3-yl)pentan-2-yl acetate.

Molecular Properties

Compound Name5-(oxan-3-yl)pentan-2-yl acetate
PubChem CID69403351
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name5-(oxan-3-yl)pentan-2-yl acetate
SMILESCC(=O)OC(C)CCCC1CCCOC1
InChIInChI=1S/C12H22O3/c1-10(15-11(2)13)5-3-6-12-7-4-8-14-9-12/h10,12H,3-9H2,1-2H3
InChIKeyDWPORGLAYDTQKK-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
CID 25138440
3-octyloxane
CID 69236112
3-(3-methylsulfanyloxypropyl)oxane
CID 143739199
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
3-[(3R)-oxan-3-yl]propane-1-thiol
CID 142369160
(5R)-5-acetyloxyhexanoic acid
CID 87649956
S-(oxan-3-ylmethyl) ethanethioate
CID 131173361
1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane
CID 171063874
7-acetyloxyoctanoic acid
CID 14119881
3-(3-chloropentyl)oxane
CID 107137866

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)pentan-2-yl acetate?
The IUPAC name of 5-(oxan-3-yl)pentan-2-yl acetate (CID 69403351) is 5-(oxan-3-yl)pentan-2-yl acetate.
What is the SMILES notation for 5-(oxan-3-yl)pentan-2-yl acetate?
The canonical SMILES for 5-(oxan-3-yl)pentan-2-yl acetate is CC(=O)OC(C)CCCC1CCCOC1.
What is the InChIKey of 5-(oxan-3-yl)pentan-2-yl acetate?
The InChIKey is DWPORGLAYDTQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(15-11(2)13)5-3-6-12-7-4-8-14-9-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 5-(oxan-3-yl)pentan-2-yl acetate?
5-(oxan-3-yl)pentan-2-yl acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)pentan-2-yl acetate is sourced from PubChem (CID 69403351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).