1,1-dimethoxyethane;prop-2-enyl acetate

C9H18O4 — CID 87678916

IUPAC1,1-dimethoxyethane;prop-2-enyl acetate
SMILESC=CCOC(C)=O.COC(C)OC
InChIInChI=1S/C5H8O2.C4H10O2/c1-3-4-7-5(2)6;1-4(5-2)6-3/h3H,1,4H2,2H3;4H,1-3H3
InChIKeyKYUVRHGWMQXHQZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.36
Rot. Bonds4

About 1,1-dimethoxyethane;prop-2-enyl acetate

1,1-dimethoxyethane;prop-2-enyl acetate (PubChem CID 87678916) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,1-dimethoxyethane;prop-2-enyl acetate.

Molecular Properties

Compound Name1,1-dimethoxyethane;prop-2-enyl acetate
PubChem CID87678916
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1,1-dimethoxyethane;prop-2-enyl acetate
SMILESC=CCOC(C)=O.COC(C)OC
InChIInChI=1S/C5H8O2.C4H10O2/c1-3-4-7-5(2)6;1-4(5-2)6-3/h3H,1,4H2,2H3;4H,1-3H3
InChIKeyKYUVRHGWMQXHQZ-UHFFFAOYSA-N
XLogP1.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butan-2-one;prop-2-enyl acetate
CID 118347758
1,1-dimethoxyethane;ethyl acetate;trihydrobromide
CID 173412257
prop-2-enyl 2-aminopropanoate
CID 91515395
1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658
1,3-dichloropropan-2-yloxymethanol;prop-2-enyl acetate
CID 174772762
4-hydroxybutyl acetate;prop-2-enyl acetate
CID 88766466
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
CID 58877383
CID 58877383

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;prop-2-enyl acetate?
The IUPAC name of 1,1-dimethoxyethane;prop-2-enyl acetate (CID 87678916) is 1,1-dimethoxyethane;prop-2-enyl acetate.
What is the SMILES notation for 1,1-dimethoxyethane;prop-2-enyl acetate?
The canonical SMILES for 1,1-dimethoxyethane;prop-2-enyl acetate is C=CCOC(C)=O.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;prop-2-enyl acetate?
The InChIKey is KYUVRHGWMQXHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H10O2/c1-3-4-7-5(2)6;1-4(5-2)6-3/h3H,1,4H2,2H3;4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;prop-2-enyl acetate?
1,1-dimethoxyethane;prop-2-enyl acetate has a molecular weight of 190.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;prop-2-enyl acetate is sourced from PubChem (CID 87678916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).