(2R)-2-methylpent-4-enoic acid

C6H10O2 — CID 7167861

IUPAC(2R)-2-methylpent-4-enoic acid
SMILESC=CC[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)/t5-/m1/s1
InChIKeyHVRZYSHVZOELOH-RXMQYKEDSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds3

About (2R)-2-methylpent-4-enoic acid

(2R)-2-methylpent-4-enoic acid (PubChem CID 7167861) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2R)-2-methylpent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-methylpent-4-enoic acid
PubChem CID7167861
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2R)-2-methylpent-4-enoic acid
SMILESC=CC[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)/t5-/m1/s1
InChIKeyHVRZYSHVZOELOH-RXMQYKEDSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylpent-4-enoic acid?
The IUPAC name of (2R)-2-methylpent-4-enoic acid (CID 7167861) is (2R)-2-methylpent-4-enoic acid.
What is the SMILES notation for (2R)-2-methylpent-4-enoic acid?
The canonical SMILES for (2R)-2-methylpent-4-enoic acid is C=CC[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-methylpent-4-enoic acid?
The InChIKey is HVRZYSHVZOELOH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (2R)-2-methylpent-4-enoic acid?
(2R)-2-methylpent-4-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpent-4-enoic acid is sourced from PubChem (CID 7167861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).