(Z)-10-(oxan-2-yloxy)dec-4-enal

C15H26O3 — CID 10060892

IUPAC(Z)-10-(oxan-2-yloxy)dec-4-enal
SMILESO=CCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C15H26O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h1,3,12,15H,2,4-11,13-14H2/b3-1-
InChIKeyDCJSFCXJKUFLRQ-IWQZZHSRSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds10

About (Z)-10-(oxan-2-yloxy)dec-4-enal

(Z)-10-(oxan-2-yloxy)dec-4-enal (PubChem CID 10060892) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (Z)-10-(oxan-2-yloxy)dec-4-enal.

Molecular Properties

Compound Name(Z)-10-(oxan-2-yloxy)dec-4-enal
PubChem CID10060892
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(Z)-10-(oxan-2-yloxy)dec-4-enal
SMILESO=CCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C15H26O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h1,3,12,15H,2,4-11,13-14H2/b3-1-
InChIKeyDCJSFCXJKUFLRQ-IWQZZHSRSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.63
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-(oxan-2-yloxy)dec-4-enal?
The IUPAC name of (Z)-10-(oxan-2-yloxy)dec-4-enal (CID 10060892) is (Z)-10-(oxan-2-yloxy)dec-4-enal.
What is the SMILES notation for (Z)-10-(oxan-2-yloxy)dec-4-enal?
The canonical SMILES for (Z)-10-(oxan-2-yloxy)dec-4-enal is O=CCC/C=C\CCCCCOC1CCCCO1.
What is the InChIKey of (Z)-10-(oxan-2-yloxy)dec-4-enal?
The InChIKey is DCJSFCXJKUFLRQ-IWQZZHSRSA-N. The full InChI is InChI=1S/C15H26O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h1,3,12,15H,2,4-11,13-14H2/b3-1-.
What are the key properties of (Z)-10-(oxan-2-yloxy)dec-4-enal?
(Z)-10-(oxan-2-yloxy)dec-4-enal has a molecular weight of 254.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-(oxan-2-yloxy)dec-4-enal is sourced from PubChem (CID 10060892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).