(E)-2-methylpent-3-enoic acid

C6H10O2 — CID 6435866

IUPAC(E)-2-methylpent-3-enoic acid
SMILESC/C=C/C(C)C(=O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
InChIKeyNFRJJFMXYKSRPK-ONEGZZNKSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds2

About (E)-2-methylpent-3-enoic acid

(E)-2-methylpent-3-enoic acid (PubChem CID 6435866) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (E)-2-methylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-2-methylpent-3-enoic acid
PubChem CID6435866
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(E)-2-methylpent-3-enoic acid
SMILESC/C=C/C(C)C(=O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
InChIKeyNFRJJFMXYKSRPK-ONEGZZNKSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

4-Methyl-3-pentenoic acid
CID 68158
trans-3-Hexenoic acid
CID 5282708
3-Hexenoic acid, (Z)-
CID 5355152
trans-beta-Hydromuconic acid
CID 5351896
3-Octenoic acid
CID 15307
Hex-3-enoic acid
CID 20200
2-Methyl-3-pentenoic acid, (3Z)-
CID 71587183
2-Methylpent-3-enoic acid
CID 61969
(3E)-3-Pentenoic acid
CID 5282706
(3E)-3-Heptenoic acid
CID 5282710
(3E)-3,5-Hexadienoic acid
CID 5312594
3-Pentenoic acid
CID 21263

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylpent-3-enoic acid?
The IUPAC name of (E)-2-methylpent-3-enoic acid (CID 6435866) is (E)-2-methylpent-3-enoic acid.
What is the SMILES notation for (E)-2-methylpent-3-enoic acid?
The canonical SMILES for (E)-2-methylpent-3-enoic acid is C/C=C/C(C)C(=O)O.
What is the InChIKey of (E)-2-methylpent-3-enoic acid?
The InChIKey is NFRJJFMXYKSRPK-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+.
What are the key properties of (E)-2-methylpent-3-enoic acid?
(E)-2-methylpent-3-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylpent-3-enoic acid is sourced from PubChem (CID 6435866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).