2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate

C10H14O6 — CID 174382959

IUPAC2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CC(O)O
InChIInChI=1S/C10H14O6/c1-3-9(13)15-4-5-16-10(14)7(2)6-8(11)12/h3,8,11-12H,1-2,4-6H2
InChIKeyAKDRUDDNQUKSJB-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.48
Rot. Bonds7

About 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate

2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate (PubChem CID 174382959) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate
PubChem CID174382959
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CC(O)O
InChIInChI=1S/C10H14O6/c1-3-9(13)15-4-5-16-10(14)7(2)6-8(11)12/h3,8,11-12H,1-2,4-6H2
InChIKeyAKDRUDDNQUKSJB-UHFFFAOYSA-N
XLogP-0.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enoyloxyethyl 2-methylidenehexanoate
CID 56994433
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
3-prop-2-enoyloxypropyl 4-amino-2-methylidenebutanoate
CID 88830321
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate (CID 174382959) is 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate is C=CC(=O)OCCOC(=O)C(=C)CC(O)O.
What is the InChIKey of 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate?
The InChIKey is AKDRUDDNQUKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-9(13)15-4-5-16-10(14)7(2)6-8(11)12/h3,8,11-12H,1-2,4-6H2.
What are the key properties of 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate?
2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate has a molecular weight of 230.22 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate is sourced from PubChem (CID 174382959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).