(E)-5-methoxy-2-methyloct-2-enal

C10H18O2 — CID 87291028

IUPAC(E)-5-methoxy-2-methyloct-2-enal
SMILESCCCC(C/C=C(\C)C=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-10(12-3)7-6-9(2)8-11/h6,8,10H,4-5,7H2,1-3H3/b9-6+
InChIKeyFDHNJKXQSZDCRT-RMKNXTFCSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About (E)-5-methoxy-2-methyloct-2-enal

(E)-5-methoxy-2-methyloct-2-enal (PubChem CID 87291028) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-methoxy-2-methyloct-2-enal.

Molecular Properties

Compound Name(E)-5-methoxy-2-methyloct-2-enal
PubChem CID87291028
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-methoxy-2-methyloct-2-enal
SMILESCCCC(C/C=C(\C)C=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-10(12-3)7-6-9(2)8-11/h6,8,10H,4-5,7H2,1-3H3/b9-6+
InChIKeyFDHNJKXQSZDCRT-RMKNXTFCSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-5-methoxy-2-methyloct-2-enal?
The IUPAC name of (E)-5-methoxy-2-methyloct-2-enal (CID 87291028) is (E)-5-methoxy-2-methyloct-2-enal.
What is the SMILES notation for (E)-5-methoxy-2-methyloct-2-enal?
The canonical SMILES for (E)-5-methoxy-2-methyloct-2-enal is CCCC(C/C=C(\C)C=O)OC.
What is the InChIKey of (E)-5-methoxy-2-methyloct-2-enal?
The InChIKey is FDHNJKXQSZDCRT-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-10(12-3)7-6-9(2)8-11/h6,8,10H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (E)-5-methoxy-2-methyloct-2-enal?
(E)-5-methoxy-2-methyloct-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-2-methyloct-2-enal is sourced from PubChem (CID 87291028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).