methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid

C11H18O5 — CID 174807958

IUPACmethyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OC)C(O)CC.C=C(C)C(=O)O
InChIInChI=1S/C7H12O3.C4H6O2/c1-4-6(8)5(2)7(9)10-3;1-3(2)4(5)6/h6,8H,2,4H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeyRKVLEPLWNDYFQF-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.13
Rot. Bonds4

About methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid

methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid (PubChem CID 174807958) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
PubChem CID174807958
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OC)C(O)CC.C=C(C)C(=O)O
InChIInChI=1S/C7H12O3.C4H6O2/c1-4-6(8)5(2)7(9)10-3;1-3(2)4(5)6/h6,8H,2,4H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeyRKVLEPLWNDYFQF-UHFFFAOYSA-N
XLogP1.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;prop-2-enyl 3-hydroxy-2-methylidenepentaneperoxoate
CID 174525189
methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid
CID 141011598
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
3-hydroxy-2-methylidenepentaneperoxoic acid
CID 175223388
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
dimethyl (E)-3,10-dihydroxy-2,11-dimethylidenedodec-6-enedioate
CID 102012982
2-methylpropyl 3-hydroxy-2-methylidenepentanoate
CID 10012664
4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
CID 174398632
methyl 3-hydroperoxy-2-methylidenepentanoate
CID 11019156
(E)-4-hydroxy-3-methoxy-2-methylhex-2-enoic acid
CID 88764923

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The IUPAC name of methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid (CID 174807958) is methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid.
What is the SMILES notation for methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The canonical SMILES for methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid is C=C(C(=O)OC)C(O)CC.C=C(C)C(=O)O.
What is the InChIKey of methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The InChIKey is RKVLEPLWNDYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C4H6O2/c1-4-6(8)5(2)7(9)10-3;1-3(2)4(5)6/h6,8H,2,4H2,1,3H3;1H2,2H3,(H,5,6).
What are the key properties of methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid?
methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 174807958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).