methane;1-propanoyloxyethyl 2-methylpropanoate

C10H20O4 — CID 161244899

IUPACmethane;1-propanoyloxyethyl 2-methylpropanoate
SMILESC.CCC(=O)OC(C)OC(=O)C(C)C
InChIInChI=1S/C9H16O4.CH4/c1-5-8(10)12-7(4)13-9(11)6(2)3;/h6-7H,5H2,1-4H3;1H4
InChIKeyVAMUORAAAKPWBV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds4

About methane;1-propanoyloxyethyl 2-methylpropanoate

methane;1-propanoyloxyethyl 2-methylpropanoate (PubChem CID 161244899) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methane;1-propanoyloxyethyl 2-methylpropanoate.

Molecular Properties

Compound Namemethane;1-propanoyloxyethyl 2-methylpropanoate
PubChem CID161244899
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethane;1-propanoyloxyethyl 2-methylpropanoate
SMILESC.CCC(=O)OC(C)OC(=O)C(C)C
InChIInChI=1S/C9H16O4.CH4/c1-5-8(10)12-7(4)13-9(11)6(2)3;/h6-7H,5H2,1-4H3;1H4
InChIKeyVAMUORAAAKPWBV-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-propanoyloxybutan-2-yl propanoate
CID 14494224
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
1-carbonochloridoyloxyethyl 2-methylpropanoate
CID 19067199
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
1-(2-methylpropanoyloxy)ethyl 4-[1-(2-methylpropanoyloxy)ethoxycarbonylsulfanyl]butanoate
CID 157352504
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244
1-(2-methylpropanoyloxy)ethyl 2-ethylhexanoate
CID 171426062
propan-2-one;propan-2-yl propanoate
CID 161266557
1-(propan-2-ylideneamino)oxyethyl propanoate
CID 88654744
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
butan-2-yl propanoate;sulfur dioxide
CID 159892772
hexan-2-yl propanoate
CID 54289868

Frequently Asked Questions

What is the IUPAC name of methane;1-propanoyloxyethyl 2-methylpropanoate?
The IUPAC name of methane;1-propanoyloxyethyl 2-methylpropanoate (CID 161244899) is methane;1-propanoyloxyethyl 2-methylpropanoate.
What is the SMILES notation for methane;1-propanoyloxyethyl 2-methylpropanoate?
The canonical SMILES for methane;1-propanoyloxyethyl 2-methylpropanoate is C.CCC(=O)OC(C)OC(=O)C(C)C.
What is the InChIKey of methane;1-propanoyloxyethyl 2-methylpropanoate?
The InChIKey is VAMUORAAAKPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.CH4/c1-5-8(10)12-7(4)13-9(11)6(2)3;/h6-7H,5H2,1-4H3;1H4.
What are the key properties of methane;1-propanoyloxyethyl 2-methylpropanoate?
methane;1-propanoyloxyethyl 2-methylpropanoate has a molecular weight of 204.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propanoyloxyethyl 2-methylpropanoate is sourced from PubChem (CID 161244899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).