[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate

C10H16O4 — CID 146216360

IUPAC[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
SMILESCCC(=O)O/C=C(/C)COC(=O)CC
InChIInChI=1S/C10H16O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeySZJAHJHFEQQULI-VURMDHGXSA-N
MW200.23 g/mol
LogP1.80
Rot. Bonds5

About [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate

[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate (PubChem CID 146216360) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
PubChem CID146216360
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
SMILESCCC(=O)O/C=C(/C)COC(=O)CC
InChIInChI=1S/C10H16O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeySZJAHJHFEQQULI-VURMDHGXSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(2E,6E)-2,5-dimethylocta-2,6-dienyl] propanoate
CID 101283014
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
2-methylnon-2-enyl propanoate
CID 5066536
[(1E,4E)-2,6-dimethylocta-1,4-dienyl] propanoate
CID 101283023
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
2-ethylbut-2-enyl propanoate
CID 90757213
[(2E,5E)-2,4-dimethylocta-2,5-dienyl] propanoate
CID 101282998
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
[(E)-4-propanoyloxybut-3-enyl] propanoate
CID 19376959
[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate
CID 89207917
silylmethyl propanoate
CID 152513576

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate?
The IUPAC name of [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate (CID 146216360) is [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate.
What is the SMILES notation for [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate?
The canonical SMILES for [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate is CCC(=O)O/C=C(/C)COC(=O)CC.
What is the InChIKey of [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate?
The InChIKey is SZJAHJHFEQQULI-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h6H,4-5,7H2,1-3H3/b8-6-.
What are the key properties of [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate?
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate is sourced from PubChem (CID 146216360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).