(Z)-2-(2-methoxypropyl)non-2-enal

C13H24O2 — CID 129308811

IUPAC(Z)-2-(2-methoxypropyl)non-2-enal
SMILESCCCCCC/C=C(\C=O)CC(C)OC
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-13(11-14)10-12(2)15-3/h9,11-12H,4-8,10H2,1-3H3/b13-9-
InChIKeyTXOXRFFTEIZBAD-LCYFTJDESA-N
MW212.33 g/mol
LogP3.51
Rot. Bonds9

About (Z)-2-(2-methoxypropyl)non-2-enal

(Z)-2-(2-methoxypropyl)non-2-enal (PubChem CID 129308811) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-2-(2-methoxypropyl)non-2-enal.

Molecular Properties

Compound Name(Z)-2-(2-methoxypropyl)non-2-enal
PubChem CID129308811
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-2-(2-methoxypropyl)non-2-enal
SMILESCCCCCC/C=C(\C=O)CC(C)OC
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-13(11-14)10-12(2)15-3/h9,11-12H,4-8,10H2,1-3H3/b13-9-
InChIKeyTXOXRFFTEIZBAD-LCYFTJDESA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methoxypropyl)non-2-enal?
The IUPAC name of (Z)-2-(2-methoxypropyl)non-2-enal (CID 129308811) is (Z)-2-(2-methoxypropyl)non-2-enal.
What is the SMILES notation for (Z)-2-(2-methoxypropyl)non-2-enal?
The canonical SMILES for (Z)-2-(2-methoxypropyl)non-2-enal is CCCCCC/C=C(\C=O)CC(C)OC.
What is the InChIKey of (Z)-2-(2-methoxypropyl)non-2-enal?
The InChIKey is TXOXRFFTEIZBAD-LCYFTJDESA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-13(11-14)10-12(2)15-3/h9,11-12H,4-8,10H2,1-3H3/b13-9-.
What are the key properties of (Z)-2-(2-methoxypropyl)non-2-enal?
(Z)-2-(2-methoxypropyl)non-2-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)-2-(2-methoxypropyl)non-2-enal is sourced from PubChem (CID 129308811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).