3-propanoyloxybutan-2-yl propanoate

C10H18O4 — CID 14494224

IUPAC3-propanoyloxybutan-2-yl propanoate
SMILESCCC(=O)OC(C)C(C)OC(=O)CC
InChIInChI=1S/C10H18O4/c1-5-9(11)13-7(3)8(4)14-10(12)6-2/h7-8H,5-6H2,1-4H3
InChIKeyKPUUMAWKMUKHSU-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds5

About 3-propanoyloxybutan-2-yl propanoate

3-propanoyloxybutan-2-yl propanoate (PubChem CID 14494224) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-propanoyloxybutan-2-yl propanoate.

Molecular Properties

Compound Name3-propanoyloxybutan-2-yl propanoate
PubChem CID14494224
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-propanoyloxybutan-2-yl propanoate
SMILESCCC(=O)OC(C)C(C)OC(=O)CC
InChIInChI=1S/C10H18O4/c1-5-9(11)13-7(3)8(4)14-10(12)6-2/h7-8H,5-6H2,1-4H3
InChIKeyKPUUMAWKMUKHSU-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-one;propan-2-yl propanoate
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2,4-dimethylpentan-3-yl propanoate;methane
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[(2S,3S)-3,10-dimethylundecan-2-yl] propanoate
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3,5,7,9,11-pentamethyldodecan-2-yl propanoate
CID 91265904
1-(propan-2-ylideneamino)oxyethyl propanoate
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1-propanoyloxyethanesulfonic acid
CID 173197571
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-1,1,1-trichloropropan-2-yl] propanoate
CID 6933249
methane;1-propanoyloxyethyl 2-methylpropanoate
CID 161244899
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129

Frequently Asked Questions

What is the IUPAC name of 3-propanoyloxybutan-2-yl propanoate?
The IUPAC name of 3-propanoyloxybutan-2-yl propanoate (CID 14494224) is 3-propanoyloxybutan-2-yl propanoate.
What is the SMILES notation for 3-propanoyloxybutan-2-yl propanoate?
The canonical SMILES for 3-propanoyloxybutan-2-yl propanoate is CCC(=O)OC(C)C(C)OC(=O)CC.
What is the InChIKey of 3-propanoyloxybutan-2-yl propanoate?
The InChIKey is KPUUMAWKMUKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-9(11)13-7(3)8(4)14-10(12)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-propanoyloxybutan-2-yl propanoate?
3-propanoyloxybutan-2-yl propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyloxybutan-2-yl propanoate is sourced from PubChem (CID 14494224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).