(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal

C10H18O3 — CID 175235112

IUPAC(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal
SMILESCC/C=C\CC(O)C(C=O)C(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-10(13)9(7-11)8(2)12/h4-5,7-10,12-13H,3,6H2,1-2H3/b5-4-
InChIKeyGKZWXPFSCLKNAH-PLNGDYQASA-N
MW186.25 g/mol
LogP0.90
Rot. Bonds6

About (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal

(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal (PubChem CID 175235112) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal
PubChem CID175235112
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal
SMILESCC/C=C\CC(O)C(C=O)C(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-10(13)9(7-11)8(2)12/h4-5,7-10,12-13H,3,6H2,1-2H3/b5-4-
InChIKeyGKZWXPFSCLKNAH-PLNGDYQASA-N
XLogP0.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal?
The IUPAC name of (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal (CID 175235112) is (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal.
What is the SMILES notation for (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal?
The canonical SMILES for (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal is CC/C=C\CC(O)C(C=O)C(C)O.
What is the InChIKey of (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal?
The InChIKey is GKZWXPFSCLKNAH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-10(13)9(7-11)8(2)12/h4-5,7-10,12-13H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal?
(Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal has a molecular weight of 186.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-(1-hydroxyethyl)oct-5-enal is sourced from PubChem (CID 175235112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).