ethane;(5-propan-2-yloxolan-2-yl)methyl acetate

C12H24O3 — CID 142391715

IUPACethane;(5-propan-2-yloxolan-2-yl)methyl acetate
SMILESCC.CC(=O)OCC1CCC(C(C)C)O1
InChIInChI=1S/C10H18O3.C2H6/c1-7(2)10-5-4-9(13-10)6-12-8(3)11;1-2/h7,9-10H,4-6H2,1-3H3;1-2H3
InChIKeyUEWLDSXUUBLZRI-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.78
Rot. Bonds3

About ethane;(5-propan-2-yloxolan-2-yl)methyl acetate

ethane;(5-propan-2-yloxolan-2-yl)methyl acetate (PubChem CID 142391715) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;(5-propan-2-yloxolan-2-yl)methyl acetate.

Molecular Properties

Compound Nameethane;(5-propan-2-yloxolan-2-yl)methyl acetate
PubChem CID142391715
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethane;(5-propan-2-yloxolan-2-yl)methyl acetate
SMILESCC.CC(=O)OCC1CCC(C(C)C)O1
InChIInChI=1S/C10H18O3.C2H6/c1-7(2)10-5-4-9(13-10)6-12-8(3)11;1-2/h7,9-10H,4-6H2,1-3H3;1-2H3
InChIKeyUEWLDSXUUBLZRI-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
ethane;(5-propan-2-yloxolan-2-yl)methanol
CID 170570841
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
CID 142113480
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617
1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate
CID 67891878
(3,4-diacetyloxy-6-propan-2-yloxan-2-yl)methyl acetate
CID 177338031
ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
CID 135130509
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
(5-formyloxan-2-yl)methyl acetate
CID 123948440
[6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxan-2-yl]methyl acetate
CID 19882877

Frequently Asked Questions

What is the IUPAC name of ethane;(5-propan-2-yloxolan-2-yl)methyl acetate?
The IUPAC name of ethane;(5-propan-2-yloxolan-2-yl)methyl acetate (CID 142391715) is ethane;(5-propan-2-yloxolan-2-yl)methyl acetate.
What is the SMILES notation for ethane;(5-propan-2-yloxolan-2-yl)methyl acetate?
The canonical SMILES for ethane;(5-propan-2-yloxolan-2-yl)methyl acetate is CC.CC(=O)OCC1CCC(C(C)C)O1.
What is the InChIKey of ethane;(5-propan-2-yloxolan-2-yl)methyl acetate?
The InChIKey is UEWLDSXUUBLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C2H6/c1-7(2)10-5-4-9(13-10)6-12-8(3)11;1-2/h7,9-10H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;(5-propan-2-yloxolan-2-yl)methyl acetate?
ethane;(5-propan-2-yloxolan-2-yl)methyl acetate has a molecular weight of 216.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-propan-2-yloxolan-2-yl)methyl acetate is sourced from PubChem (CID 142391715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).