(E,7R)-7-hydroxyoct-2-enal

C8H14O2 — CID 131236706

IUPAC(E,7R)-7-hydroxyoct-2-enal
SMILESC[C@@H](O)CCC/C=C/C=O
InChIInChI=1S/C8H14O2/c1-8(10)6-4-2-3-5-7-9/h3,5,7-8,10H,2,4,6H2,1H3/b5-3+/t8-/m1/s1
InChIKeyVZCDGNFDWNEPMU-RYEJSQLPSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About (E,7R)-7-hydroxyoct-2-enal

(E,7R)-7-hydroxyoct-2-enal (PubChem CID 131236706) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E,7R)-7-hydroxyoct-2-enal.

Molecular Properties

Compound Name(E,7R)-7-hydroxyoct-2-enal
PubChem CID131236706
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E,7R)-7-hydroxyoct-2-enal
SMILESC[C@@H](O)CCC/C=C/C=O
InChIInChI=1S/C8H14O2/c1-8(10)6-4-2-3-5-7-9/h3,5,7-8,10H,2,4,6H2,1H3/b5-3+/t8-/m1/s1
InChIKeyVZCDGNFDWNEPMU-RYEJSQLPSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6-hydroxyhept-2-enal
CID 102460202
7,8-dimethylnon-2-enal
CID 91616525
(E)-13-methyltetradec-2-enal
CID 11333582
(E,2S)-non-6-en-2-ol
CID 12835465
(Z)-non-6-en-2-ol
CID 12835464
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104
8,9-dihydroxynon-2-enal
CID 121360685
(Z,9S)-9-hydroxydec-5-enal
CID 11041152
11-hydroxydodec-6-enoic acid
CID 123616769
12-hydroxytridecanal
CID 11961599
(E)-non-7-en-2-ol
CID 14615052
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875

Frequently Asked Questions

What is the IUPAC name of (E,7R)-7-hydroxyoct-2-enal?
The IUPAC name of (E,7R)-7-hydroxyoct-2-enal (CID 131236706) is (E,7R)-7-hydroxyoct-2-enal.
What is the SMILES notation for (E,7R)-7-hydroxyoct-2-enal?
The canonical SMILES for (E,7R)-7-hydroxyoct-2-enal is C[C@@H](O)CCC/C=C/C=O.
What is the InChIKey of (E,7R)-7-hydroxyoct-2-enal?
The InChIKey is VZCDGNFDWNEPMU-RYEJSQLPSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(10)6-4-2-3-5-7-9/h3,5,7-8,10H,2,4,6H2,1H3/b5-3+/t8-/m1/s1.
What are the key properties of (E,7R)-7-hydroxyoct-2-enal?
(E,7R)-7-hydroxyoct-2-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,7R)-7-hydroxyoct-2-enal is sourced from PubChem (CID 131236706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).