(E)-5-hydroxy-9-methyldec-3-enal

C11H20O2 — CID 87291267

IUPAC(E)-5-hydroxy-9-methyldec-3-enal
SMILESCC(C)CCCC(O)/C=C/CC=O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-8-11(13)7-3-4-9-12/h3,7,9-11,13H,4-6,8H2,1-2H3/b7-3+
InChIKeyPEZYHFVKSGAOJN-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds7

About (E)-5-hydroxy-9-methyldec-3-enal

(E)-5-hydroxy-9-methyldec-3-enal (PubChem CID 87291267) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-9-methyldec-3-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-9-methyldec-3-enal
PubChem CID87291267
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-9-methyldec-3-enal
SMILESCC(C)CCCC(O)/C=C/CC=O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-8-11(13)7-3-4-9-12/h3,7,9-11,13H,4-6,8H2,1-2H3/b7-3+
InChIKeyPEZYHFVKSGAOJN-XVNBXDOJSA-N
XLogP2.32
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 ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-9-methyldec-3-enal?
The IUPAC name of (E)-5-hydroxy-9-methyldec-3-enal (CID 87291267) is (E)-5-hydroxy-9-methyldec-3-enal.
What is the SMILES notation for (E)-5-hydroxy-9-methyldec-3-enal?
The canonical SMILES for (E)-5-hydroxy-9-methyldec-3-enal is CC(C)CCCC(O)/C=C/CC=O.
What is the InChIKey of (E)-5-hydroxy-9-methyldec-3-enal?
The InChIKey is PEZYHFVKSGAOJN-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-5-8-11(13)7-3-4-9-12/h3,7,9-11,13H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of (E)-5-hydroxy-9-methyldec-3-enal?
(E)-5-hydroxy-9-methyldec-3-enal has a molecular weight of 184.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-9-methyldec-3-enal is sourced from PubChem (CID 87291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).