1-acetyloxypropan-2-yl prop-2-enoate

C8H12O4 — CID 87413306

IUPAC1-acetyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)=O
InChIInChI=1S/C8H12O4/c1-4-8(10)12-6(2)5-11-7(3)9/h4,6H,1,5H2,2-3H3
InChIKeySGNIFSPYOHYEFH-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.67
Rot. Bonds4

About 1-acetyloxypropan-2-yl prop-2-enoate

1-acetyloxypropan-2-yl prop-2-enoate (PubChem CID 87413306) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-acetyloxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-acetyloxypropan-2-yl prop-2-enoate
PubChem CID87413306
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name1-acetyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)=O
InChIInChI=1S/C8H12O4/c1-4-8(10)12-6(2)5-11-7(3)9/h4,6H,1,5H2,2-3H3
InChIKeySGNIFSPYOHYEFH-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
CID 172734708
CID 172734708
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxypropan-2-yl prop-2-enoate?
The IUPAC name of 1-acetyloxypropan-2-yl prop-2-enoate (CID 87413306) is 1-acetyloxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 1-acetyloxypropan-2-yl prop-2-enoate?
The canonical SMILES for 1-acetyloxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)COC(C)=O.
What is the InChIKey of 1-acetyloxypropan-2-yl prop-2-enoate?
The InChIKey is SGNIFSPYOHYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-8(10)12-6(2)5-11-7(3)9/h4,6H,1,5H2,2-3H3.
What are the key properties of 1-acetyloxypropan-2-yl prop-2-enoate?
1-acetyloxypropan-2-yl prop-2-enoate has a molecular weight of 172.18 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 87413306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).