(E)-5-hydroxy-4-methyldec-3-enal

C11H20O2 — CID 87291146

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

About (E)-5-hydroxy-4-methyldec-3-enal

(E)-5-hydroxy-4-methyldec-3-enal (PubChem CID 87291146) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-4-methyldec-3-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-4-methyldec-3-enal
PubChem CID87291146
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-4-methyldec-3-enal
SMILESCCCCCC(O)/C(C)=C/CC=O
InChIInChI=1S/C11H20O2/c1-3-4-5-8-11(13)10(2)7-6-9-12/h7,9,11,13H,3-6,8H2,1-2H3/b10-7+
InChIKeyXOTISZBOHQQOQD-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyloct-1-ene-1,3-diol
CID 173308753
3-hydroxydecan-2-one
CID 12524096
(E)-5-hydroxy-4-methylnon-3-en-2-one
CID 87291496
2-hydroxyheptanoic acid
CID 2750949
3-hydroxyheptadecanal
CID 15268158
4-hexyldec-3-enal
CID 122396286
4-methyldec-3-en-5-ol;pentyl 2-hydroxybenzoate
CID 70269457
(2R)-2-hydroxyheptanoate
CID 7054559
2-hydroxydecanoic acid
CID 161255514
2-hydroxyoctadecanoic acid
CID 87724091
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-4-methyldec-3-enal?
The IUPAC name of (E)-5-hydroxy-4-methyldec-3-enal (CID 87291146) is (E)-5-hydroxy-4-methyldec-3-enal.
What is the SMILES notation for (E)-5-hydroxy-4-methyldec-3-enal?
The canonical SMILES for (E)-5-hydroxy-4-methyldec-3-enal is CCCCCC(O)/C(C)=C/CC=O.
What is the InChIKey of (E)-5-hydroxy-4-methyldec-3-enal?
The InChIKey is XOTISZBOHQQOQD-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-8-11(13)10(2)7-6-9-12/h7,9,11,13H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of (E)-5-hydroxy-4-methyldec-3-enal?
(E)-5-hydroxy-4-methyldec-3-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-4-methyldec-3-enal is sourced from PubChem (CID 87291146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).