(E)-5-methoxy-3-methyloct-3-enal

C10H18O2 — CID 87291411

IUPAC(E)-5-methoxy-3-methyloct-3-enal
SMILESCCCC(/C=C(\C)CC=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-10(12-3)8-9(2)6-7-11/h7-8,10H,4-6H2,1-3H3/b9-8+
InChIKeyZIDFXGHAECNZAW-CMDGGOBGSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About (E)-5-methoxy-3-methyloct-3-enal

(E)-5-methoxy-3-methyloct-3-enal (PubChem CID 87291411) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-methoxy-3-methyloct-3-enal.

Molecular Properties

Compound Name(E)-5-methoxy-3-methyloct-3-enal
PubChem CID87291411
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-methoxy-3-methyloct-3-enal
SMILESCCCC(/C=C(\C)CC=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-10(12-3)8-9(2)6-7-11/h7-8,10H,4-6H2,1-3H3/b9-8+
InChIKeyZIDFXGHAECNZAW-CMDGGOBGSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methoxy-3-methylhept-3-enal
CID 87291849
5-methoxy-3-methylnon-3-en-1-ol
CID 91036217
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
(E)-5-methoxy-3-methylhept-3-ene
CID 59875254
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
5-methoxy-3-methyloct-2-enal
CID 91583504
5-methoxy-3,6-dimethylnon-2-enal
CID 123310821
3-methoxy-2-oxohexanal
CID 91124811
5-methoxy-2-methyloct-2-enal
CID 90686162
(2S)-2,3-dimethoxypropanal
CID 12962856
(2R)-2,3-dimethoxypropanal
CID 12962855
5-methyl-2-propylhex-4-enal
CID 12923922

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-3-methyloct-3-enal?
The IUPAC name of (E)-5-methoxy-3-methyloct-3-enal (CID 87291411) is (E)-5-methoxy-3-methyloct-3-enal.
What is the SMILES notation for (E)-5-methoxy-3-methyloct-3-enal?
The canonical SMILES for (E)-5-methoxy-3-methyloct-3-enal is CCCC(/C=C(\C)CC=O)OC.
What is the InChIKey of (E)-5-methoxy-3-methyloct-3-enal?
The InChIKey is ZIDFXGHAECNZAW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-10(12-3)8-9(2)6-7-11/h7-8,10H,4-6H2,1-3H3/b9-8+.
What are the key properties of (E)-5-methoxy-3-methyloct-3-enal?
(E)-5-methoxy-3-methyloct-3-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-3-methyloct-3-enal is sourced from PubChem (CID 87291411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).