(E)-8-methylnon-2-enal

C10H18O — CID 23315996

IUPAC(E)-8-methylnon-2-enal
SMILESCC(C)CCCC/C=C/C=O
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyHYNMWRBTSUNCDB-FNORWQNLSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About (E)-8-methylnon-2-enal

(E)-8-methylnon-2-enal (PubChem CID 23315996) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-8-methylnon-2-enal.

Molecular Properties

Compound Name(E)-8-methylnon-2-enal
PubChem CID23315996
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-8-methylnon-2-enal
SMILESCC(C)CCCC/C=C/C=O
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyHYNMWRBTSUNCDB-FNORWQNLSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-8-methylnon-2-enal?
The IUPAC name of (E)-8-methylnon-2-enal (CID 23315996) is (E)-8-methylnon-2-enal.
What is the SMILES notation for (E)-8-methylnon-2-enal?
The canonical SMILES for (E)-8-methylnon-2-enal is CC(C)CCCC/C=C/C=O.
What is the InChIKey of (E)-8-methylnon-2-enal?
The InChIKey is HYNMWRBTSUNCDB-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of (E)-8-methylnon-2-enal?
(E)-8-methylnon-2-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methylnon-2-enal is sourced from PubChem (CID 23315996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).