(Z)-10-(1,3-dioxan-2-yl)dec-4-enal

C14H24O3 — CID 90384045

IUPAC(Z)-10-(1,3-dioxan-2-yl)dec-4-enal
SMILESO=CCC/C=C\CCCCCC1OCCCO1
InChIInChI=1S/C14H24O3/c15-11-8-6-4-2-1-3-5-7-10-14-16-12-9-13-17-14/h2,4,11,14H,1,3,5-10,12-13H2/b4-2-
InChIKeyYPTKZDMDYZMMKA-RQOWECAXSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds9

About (Z)-10-(1,3-dioxan-2-yl)dec-4-enal

(Z)-10-(1,3-dioxan-2-yl)dec-4-enal (PubChem CID 90384045) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (Z)-10-(1,3-dioxan-2-yl)dec-4-enal.

Molecular Properties

Compound Name(Z)-10-(1,3-dioxan-2-yl)dec-4-enal
PubChem CID90384045
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(Z)-10-(1,3-dioxan-2-yl)dec-4-enal
SMILESO=CCC/C=C\CCCCCC1OCCCO1
InChIInChI=1S/C14H24O3/c15-11-8-6-4-2-1-3-5-7-10-14-16-12-9-13-17-14/h2,4,11,14H,1,3,5-10,12-13H2/b4-2-
InChIKeyYPTKZDMDYZMMKA-RQOWECAXSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-10-(1,3-dioxan-2-yl)dec-4-enal?
The IUPAC name of (Z)-10-(1,3-dioxan-2-yl)dec-4-enal (CID 90384045) is (Z)-10-(1,3-dioxan-2-yl)dec-4-enal.
What is the SMILES notation for (Z)-10-(1,3-dioxan-2-yl)dec-4-enal?
The canonical SMILES for (Z)-10-(1,3-dioxan-2-yl)dec-4-enal is O=CCC/C=C\CCCCCC1OCCCO1.
What is the InChIKey of (Z)-10-(1,3-dioxan-2-yl)dec-4-enal?
The InChIKey is YPTKZDMDYZMMKA-RQOWECAXSA-N. The full InChI is InChI=1S/C14H24O3/c15-11-8-6-4-2-1-3-5-7-10-14-16-12-9-13-17-14/h2,4,11,14H,1,3,5-10,12-13H2/b4-2-.
What are the key properties of (Z)-10-(1,3-dioxan-2-yl)dec-4-enal?
(Z)-10-(1,3-dioxan-2-yl)dec-4-enal has a molecular weight of 240.34 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-(1,3-dioxan-2-yl)dec-4-enal is sourced from PubChem (CID 90384045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).