3-methoxy-4-methylnonanal

C11H22O2 — CID 87291495

IUPAC3-methoxy-4-methylnonanal
SMILESCCCCCC(C)C(CC=O)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-7-10(2)11(13-3)8-9-12/h9-11H,4-8H2,1-3H3
InChIKeyBSBFNISFRCUQGF-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds8

About 3-methoxy-4-methylnonanal

3-methoxy-4-methylnonanal (PubChem CID 87291495) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-4-methylnonanal.

Molecular Properties

Compound Name3-methoxy-4-methylnonanal
PubChem CID87291495
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-4-methylnonanal
SMILESCCCCCC(C)C(CC=O)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-7-10(2)11(13-3)8-9-12/h9-11H,4-8H2,1-3H3
InChIKeyBSBFNISFRCUQGF-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
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'}

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Related Compounds

4-butan-2-yl-3-methoxyoctanal
CID 145134954
(4S,5S)-4-methoxy-5-methylnon-1-ene
CID 57218264
(6S,7R)-7-methoxy-6-methylnonanal
CID 24879565
(3S)-3-methoxydecanal
CID 58437054
(4S)-4-amino-3-methoxy-5-methylheptanal
CID 167113955
3-nonyldodecanal
CID 142613821
(3R,4S,9R,11R)-3-methoxy-4-methyldotriacontane-9,11-diol
CID 102107820
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylnonanal?
The IUPAC name of 3-methoxy-4-methylnonanal (CID 87291495) is 3-methoxy-4-methylnonanal.
What is the SMILES notation for 3-methoxy-4-methylnonanal?
The canonical SMILES for 3-methoxy-4-methylnonanal is CCCCCC(C)C(CC=O)OC.
What is the InChIKey of 3-methoxy-4-methylnonanal?
The InChIKey is BSBFNISFRCUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-7-10(2)11(13-3)8-9-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-4-methylnonanal?
3-methoxy-4-methylnonanal has a molecular weight of 186.29 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylnonanal is sourced from PubChem (CID 87291495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).