(E)-5-hydroxy-2,7-dimethyloct-2-enal

C10H18O2 — CID 87292232

IUPAC(E)-5-hydroxy-2,7-dimethyloct-2-enal
SMILESC/C(C=O)=C\CC(O)CC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)6-10(12)5-4-9(3)7-11/h4,7-8,10,12H,5-6H2,1-3H3/b9-4+
InChIKeyIIIDWOMCUAJISY-RUDMXATFSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About (E)-5-hydroxy-2,7-dimethyloct-2-enal

(E)-5-hydroxy-2,7-dimethyloct-2-enal (PubChem CID 87292232) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-hydroxy-2,7-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-2,7-dimethyloct-2-enal
PubChem CID87292232
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-hydroxy-2,7-dimethyloct-2-enal
SMILESC/C(C=O)=C\CC(O)CC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)6-10(12)5-4-9(3)7-11/h4,7-8,10,12H,5-6H2,1-3H3/b9-4+
InChIKeyIIIDWOMCUAJISY-RUDMXATFSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2,7-dimethyloct-2-enal?
The IUPAC name of (E)-5-hydroxy-2,7-dimethyloct-2-enal (CID 87292232) is (E)-5-hydroxy-2,7-dimethyloct-2-enal.
What is the SMILES notation for (E)-5-hydroxy-2,7-dimethyloct-2-enal?
The canonical SMILES for (E)-5-hydroxy-2,7-dimethyloct-2-enal is C/C(C=O)=C\CC(O)CC(C)C.
What is the InChIKey of (E)-5-hydroxy-2,7-dimethyloct-2-enal?
The InChIKey is IIIDWOMCUAJISY-RUDMXATFSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)6-10(12)5-4-9(3)7-11/h4,7-8,10,12H,5-6H2,1-3H3/b9-4+.
What are the key properties of (E)-5-hydroxy-2,7-dimethyloct-2-enal?
(E)-5-hydroxy-2,7-dimethyloct-2-enal has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2,7-dimethyloct-2-enal is sourced from PubChem (CID 87292232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).