2-prop-2-enoyloxyethyl 2-methylidenehexanoate

C12H18O4 — CID 56994433

IUPAC2-prop-2-enoyloxyethyl 2-methylidenehexanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CCCC
InChIInChI=1S/C12H18O4/c1-4-6-7-10(3)12(14)16-9-8-15-11(13)5-2/h5H,2-4,6-9H2,1H3
InChIKeyDOGDMOYPUDHBFR-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.01
Rot. Bonds8

About 2-prop-2-enoyloxyethyl 2-methylidenehexanoate

2-prop-2-enoyloxyethyl 2-methylidenehexanoate (PubChem CID 56994433) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 2-methylidenehexanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 2-methylidenehexanoate
PubChem CID56994433
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-prop-2-enoyloxyethyl 2-methylidenehexanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CCCC
InChIInChI=1S/C12H18O4/c1-4-6-7-10(3)12(14)16-9-8-15-11(13)5-2/h5H,2-4,6-9H2,1H3
InChIKeyDOGDMOYPUDHBFR-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
butyl 2-methylidene-6-prop-2-enoyloxyhexanoate
CID 57068152
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
butyl prop-2-enoate;2-methylidenehexanoic acid;prop-2-enoic acid
CID 160957127
nonyl 2-methylidenedodecanoate;prop-2-enoic acid
CID 135390219
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
2-aminoethyl 2-methylidenehexanoate
CID 54444822
3-prop-2-enoyloxypropyl 4-amino-2-methylidenebutanoate
CID 88830321
2-methylidenehexadecanoic acid;pentadecyl prop-2-enoate;tridecyl prop-2-enoate
CID 88634530
prop-2-enoyl 2-methylideneheptanoate
CID 87194277
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 2-methylidenehexanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 2-methylidenehexanoate (CID 56994433) is 2-prop-2-enoyloxyethyl 2-methylidenehexanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 2-methylidenehexanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 2-methylidenehexanoate is C=CC(=O)OCCOC(=O)C(=C)CCCC.
What is the InChIKey of 2-prop-2-enoyloxyethyl 2-methylidenehexanoate?
The InChIKey is DOGDMOYPUDHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-6-7-10(3)12(14)16-9-8-15-11(13)5-2/h5H,2-4,6-9H2,1H3.
What are the key properties of 2-prop-2-enoyloxyethyl 2-methylidenehexanoate?
2-prop-2-enoyloxyethyl 2-methylidenehexanoate has a molecular weight of 226.27 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 2-methylidenehexanoate is sourced from PubChem (CID 56994433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).