(E)-5-hydroxyoct-3-enal

C8H14O2 — CID 87290926

IUPAC(E)-5-hydroxyoct-3-enal
SMILESCCCC(O)/C=C/CC=O
InChIInChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3,6-8,10H,2,4-5H2,1H3/b6-3+
InChIKeyNCRANBAMJCRHCS-ZZXKWVIFSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About (E)-5-hydroxyoct-3-enal

(E)-5-hydroxyoct-3-enal (PubChem CID 87290926) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-5-hydroxyoct-3-enal.

Molecular Properties

Compound Name(E)-5-hydroxyoct-3-enal
PubChem CID87290926
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-5-hydroxyoct-3-enal
SMILESCCCC(O)/C=C/CC=O
InChIInChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3,6-8,10H,2,4-5H2,1H3/b6-3+
InChIKeyNCRANBAMJCRHCS-ZZXKWVIFSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
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

undec-5-en-4-ol
CID 73071371
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028
(E)-non-3-en-5-ol
CID 18957163
(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 22398295
2-hydroxypentanethial
CID 54438498
methyl (E)-4-hydroxyhept-2-enoate
CID 14434764
octa-1,3-diene-2,5-diol
CID 141007502
ethyl 16-hydroxynonadec-14-enoate
CID 86215773
(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
CID 59098331
(E)-non-2-ene-1,4-diol
CID 14106146
octadec-3-en-5-ol
CID 144649733
(E,4R)-non-2-ene-1,4-diol
CID 11030095

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxyoct-3-enal?
The IUPAC name of (E)-5-hydroxyoct-3-enal (CID 87290926) is (E)-5-hydroxyoct-3-enal.
What is the SMILES notation for (E)-5-hydroxyoct-3-enal?
The canonical SMILES for (E)-5-hydroxyoct-3-enal is CCCC(O)/C=C/CC=O.
What is the InChIKey of (E)-5-hydroxyoct-3-enal?
The InChIKey is NCRANBAMJCRHCS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3,6-8,10H,2,4-5H2,1H3/b6-3+.
What are the key properties of (E)-5-hydroxyoct-3-enal?
(E)-5-hydroxyoct-3-enal has a molecular weight of 142.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxyoct-3-enal is sourced from PubChem (CID 87290926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).