(Z)-5-propan-2-yloxydec-7-enal

C13H24O2 — CID 167176028

IUPAC(Z)-5-propan-2-yloxydec-7-enal
SMILESCC/C=C\CC(CCCC=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-9-13(15-12(2)3)10-7-8-11-14/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-
InChIKeyQEYBNIPGRACOAJ-WAYWQWQTSA-N
MW212.33 g/mol
LogP3.51
Rot. Bonds9

About (Z)-5-propan-2-yloxydec-7-enal

(Z)-5-propan-2-yloxydec-7-enal (PubChem CID 167176028) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-5-propan-2-yloxydec-7-enal.

Molecular Properties

Compound Name(Z)-5-propan-2-yloxydec-7-enal
PubChem CID167176028
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-5-propan-2-yloxydec-7-enal
SMILESCC/C=C\CC(CCCC=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-9-13(15-12(2)3)10-7-8-11-14/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-
InChIKeyQEYBNIPGRACOAJ-WAYWQWQTSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-propan-2-yloxydec-7-enal?
The IUPAC name of (Z)-5-propan-2-yloxydec-7-enal (CID 167176028) is (Z)-5-propan-2-yloxydec-7-enal.
What is the SMILES notation for (Z)-5-propan-2-yloxydec-7-enal?
The canonical SMILES for (Z)-5-propan-2-yloxydec-7-enal is CC/C=C\CC(CCCC=O)OC(C)C.
What is the InChIKey of (Z)-5-propan-2-yloxydec-7-enal?
The InChIKey is QEYBNIPGRACOAJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-9-13(15-12(2)3)10-7-8-11-14/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-.
What are the key properties of (Z)-5-propan-2-yloxydec-7-enal?
(Z)-5-propan-2-yloxydec-7-enal has a molecular weight of 212.33 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-propan-2-yloxydec-7-enal is sourced from PubChem (CID 167176028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).