(E)-5-hydroxy-3-methylpent-3-enal

C6H10O2 — CID 88818950

IUPAC(E)-5-hydroxy-3-methylpent-3-enal
SMILESC/C(=C\CO)CC=O
InChIInChI=1S/C6H10O2/c1-6(2-4-7)3-5-8/h2,5,7H,3-4H2,1H3/b6-2+
InChIKeyDBBGUAMGVMRMBQ-QHHAFSJGSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds3

About (E)-5-hydroxy-3-methylpent-3-enal

(E)-5-hydroxy-3-methylpent-3-enal (PubChem CID 88818950) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (E)-5-hydroxy-3-methylpent-3-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-3-methylpent-3-enal
PubChem CID88818950
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(E)-5-hydroxy-3-methylpent-3-enal
SMILESC/C(=C\CO)CC=O
InChIInChI=1S/C6H10O2/c1-6(2-4-7)3-5-8/h2,5,7H,3-4H2,1H3/b6-2+
InChIKeyDBBGUAMGVMRMBQ-QHHAFSJGSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylhepta-2,5-dien-1-ol
CID 167443292
3-methyl-7-oxooct-3-enal
CID 91303199
(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
CID 24974009
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
CID 123615369
(3Z,5Z)-3,5-dimethylocta-3,5-dienal
CID 142133897
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
propan-2-yl 4-methyl-6-oxohex-3-enoate
CID 174601298
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
2-hydroxyacetaldehyde
CID 121494061
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
5-amino-3-methylpent-2-en-1-ol
CID 167443308

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-3-methylpent-3-enal?
The IUPAC name of (E)-5-hydroxy-3-methylpent-3-enal (CID 88818950) is (E)-5-hydroxy-3-methylpent-3-enal.
What is the SMILES notation for (E)-5-hydroxy-3-methylpent-3-enal?
The canonical SMILES for (E)-5-hydroxy-3-methylpent-3-enal is C/C(=C\CO)CC=O.
What is the InChIKey of (E)-5-hydroxy-3-methylpent-3-enal?
The InChIKey is DBBGUAMGVMRMBQ-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2-4-7)3-5-8/h2,5,7H,3-4H2,1H3/b6-2+.
What are the key properties of (E)-5-hydroxy-3-methylpent-3-enal?
(E)-5-hydroxy-3-methylpent-3-enal has a molecular weight of 114.14 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-3-methylpent-3-enal is sourced from PubChem (CID 88818950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).