6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate

C23H36O10 — CID 162207786

IUPAC6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=C(CCCCO)C(=O)O
InChIInChI=1S/C7H10O3.C7H12O3.C5H8O2.C4H6O2/c1-5(2)7(8)10-4-6-3-9-6;1-6(7(9)10)4-2-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,1,3-4H2,2H3;8H,1-5H2,(H,9,10);1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyZSKXNYBEKIYKHB-UHFFFAOYSA-N
MW472.53 g/mol
LogP2.68
Rot. Bonds10

About 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate

6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 162207786) has the molecular formula C23H36O10 and a molecular weight of 472.53 g/mol. Its IUPAC name is 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID162207786
Molecular FormulaC23H36O10
Molecular Weight472.53 g/mol
Exact Mass472.23
IUPAC Name6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=C(CCCCO)C(=O)O
InChIInChI=1S/C7H10O3.C7H12O3.C5H8O2.C4H6O2/c1-5(2)7(8)10-4-6-3-9-6;1-6(7(9)10)4-2-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,1,3-4H2,2H3;8H,1-5H2,(H,9,10);1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyZSKXNYBEKIYKHB-UHFFFAOYSA-N
XLogP2.68
TPSA159.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87254151
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate
CID 87226077
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
2-methylidene-4-(oxiran-2-yl)butanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87439948

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 162207786) is 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=C(CCCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is ZSKXNYBEKIYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C7H12O3.C5H8O2.C4H6O2/c1-5(2)7(8)10-4-6-3-9-6;1-6(7(9)10)4-2-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,1,3-4H2,2H3;8H,1-5H2,(H,9,10);1H2,2-3H3;1H2,2H3,(H,5,6).
What are the key properties of 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 472.53 g/mol, XLogP of 2.68, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 162207786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).