methane;2-prop-2-enoyloxypropyl prop-2-enoate

C11H20O4 — CID 161351901

IUPACmethane;2-prop-2-enoyloxypropyl prop-2-enoate
SMILESC.C.C=CC(=O)OCC(C)OC(=O)C=C
InChIInChI=1S/C9H12O4.2CH4/c1-4-8(10)12-6-7(3)13-9(11)5-2;;/h4-5,7H,1-2,6H2,3H3;2*1H4
InChIKeyVOAMWLZESFMJRC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.11
Rot. Bonds5

About methane;2-prop-2-enoyloxypropyl prop-2-enoate

methane;2-prop-2-enoyloxypropyl prop-2-enoate (PubChem CID 161351901) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methane;2-prop-2-enoyloxypropyl prop-2-enoate.

Molecular Properties

Compound Namemethane;2-prop-2-enoyloxypropyl prop-2-enoate
PubChem CID161351901
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethane;2-prop-2-enoyloxypropyl prop-2-enoate
SMILESC.C.C=CC(=O)OCC(C)OC(=O)C=C
InChIInChI=1S/C9H12O4.2CH4/c1-4-8(10)12-6-7(3)13-9(11)5-2;;/h4-5,7H,1-2,6H2,3H3;2*1H4
InChIKeyVOAMWLZESFMJRC-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.11
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

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
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 146608012
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate;prop-2-enoyloxymethyl prop-2-enoate;3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate;3-[2-(3-prop-2-enoyloxypropoxy)ethoxy]propyl prop-2-enoate;2-prop-2-enoyloxypropyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 164994221
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
(4-hydroxy-2,3-dimethyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428957

Frequently Asked Questions

What is the IUPAC name of methane;2-prop-2-enoyloxypropyl prop-2-enoate?
The IUPAC name of methane;2-prop-2-enoyloxypropyl prop-2-enoate (CID 161351901) is methane;2-prop-2-enoyloxypropyl prop-2-enoate.
What is the SMILES notation for methane;2-prop-2-enoyloxypropyl prop-2-enoate?
The canonical SMILES for methane;2-prop-2-enoyloxypropyl prop-2-enoate is C.C.C=CC(=O)OCC(C)OC(=O)C=C.
What is the InChIKey of methane;2-prop-2-enoyloxypropyl prop-2-enoate?
The InChIKey is VOAMWLZESFMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.2CH4/c1-4-8(10)12-6-7(3)13-9(11)5-2;;/h4-5,7H,1-2,6H2,3H3;2*1H4.
What are the key properties of methane;2-prop-2-enoyloxypropyl prop-2-enoate?
methane;2-prop-2-enoyloxypropyl prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-prop-2-enoyloxypropyl prop-2-enoate is sourced from PubChem (CID 161351901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).