(E)-5-hydroxy-2-methyldec-2-enal

C11H20O2 — CID 87291784

IUPAC(E)-5-hydroxy-2-methyldec-2-enal
SMILESCCCCCC(O)C/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-11(13)8-7-10(2)9-12/h7,9,11,13H,3-6,8H2,1-2H3/b10-7+
InChIKeyDJIKZOGCUIQDLL-JXMROGBWSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds7

About (E)-5-hydroxy-2-methyldec-2-enal

(E)-5-hydroxy-2-methyldec-2-enal (PubChem CID 87291784) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methyldec-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methyldec-2-enal
PubChem CID87291784
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-2-methyldec-2-enal
SMILESCCCCCC(O)C/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-11(13)8-7-10(2)9-12/h7,9,11,13H,3-6,8H2,1-2H3/b10-7+
InChIKeyDJIKZOGCUIQDLL-JXMROGBWSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-hydroxy-2-methylnon-2-enal
CID 87291265
3-hydroxyheptadecanal
CID 15268158
5-hydroxy-2-methyltridec-2-enoic acid
CID 123675074
(E)-5-hydroxy-2,6-dimethylnon-2-enal
CID 87291633
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078
(3S)-3-hydroxyheptanal
CID 15258469
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
CID 15717608
3-hydroxyhexadec-9-enal
CID 175100822
[(Z,6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate
CID 162998768
(4R)-dodec-1-en-4-ol
CID 11074077
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methyldec-2-enal?
The IUPAC name of (E)-5-hydroxy-2-methyldec-2-enal (CID 87291784) is (E)-5-hydroxy-2-methyldec-2-enal.
What is the SMILES notation for (E)-5-hydroxy-2-methyldec-2-enal?
The canonical SMILES for (E)-5-hydroxy-2-methyldec-2-enal is CCCCCC(O)C/C=C(\C)C=O.
What is the InChIKey of (E)-5-hydroxy-2-methyldec-2-enal?
The InChIKey is DJIKZOGCUIQDLL-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-11(13)8-7-10(2)9-12/h7,9,11,13H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of (E)-5-hydroxy-2-methyldec-2-enal?
(E)-5-hydroxy-2-methyldec-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methyldec-2-enal is sourced from PubChem (CID 87291784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).