5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid

C11H18O5 — CID 173207382

IUPAC5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(6(8)9)3-2-4-7;1-3-4(2)5(6)7/h3,7H,2,4H2,1H3,(H,8,9);2-3H2,1H3,(H,6,7)
InChIKeyJEXOYCQVTMUFCI-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.44
Rot. Bonds5

About 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid

5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid (PubChem CID 173207382) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
PubChem CID173207382
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(6(8)9)3-2-4-7;1-3-4(2)5(6)7/h3,7H,2,4H2,1H3,(H,8,9);2-3H2,1H3,(H,6,7)
InChIKeyJEXOYCQVTMUFCI-UHFFFAOYSA-N
XLogP1.44
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
CID 173047052
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
ethyl carbamate;5-hydroxy-2-methylpent-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 175878324
carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
lithium;hydride;2-methylidenebutanoic acid
CID 174729708
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 67928086
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
(2H)chlorane;2-methylidenebutanoic acid
CID 159149807
2-methylidenebutanoic acid;2-methylprop-2-enamide
CID 88685460
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 173421757

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid?
The IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid (CID 173207382) is 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid.
What is the SMILES notation for 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid?
The canonical SMILES for 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid is C=C(CC)C(=O)O.CC(=CCCO)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid?
The InChIKey is JEXOYCQVTMUFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O2/c1-5(6(8)9)3-2-4-7;1-3-4(2)5(6)7/h3,7H,2,4H2,1H3,(H,8,9);2-3H2,1H3,(H,6,7).
What are the key properties of 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid?
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid is sourced from PubChem (CID 173207382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).