4-(ethenoxymethyl)nonane

C12H24O — CID 54548682

IUPAC4-(ethenoxymethyl)nonane
SMILESC=COCC(CCC)CCCCC
InChIInChI=1S/C12H24O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,12H,3-5,7-11H2,1-2H3
InChIKeyCBGGSJXBIHWBIR-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds9

About 4-(ethenoxymethyl)nonane

4-(ethenoxymethyl)nonane (PubChem CID 54548682) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-(ethenoxymethyl)nonane.

Molecular Properties

Compound Name4-(ethenoxymethyl)nonane
PubChem CID54548682
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-(ethenoxymethyl)nonane
SMILESC=COCC(CCC)CCCCC
InChIInChI=1S/C12H24O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,12H,3-5,7-11H2,1-2H3
InChIKeyCBGGSJXBIHWBIR-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethenoxymethyl)undecane
CID 90318537
1-ethenoxy-2-(ethenoxymethyl)heptane
CID 21184926
4-(2-propylheptoxymethyl)nonane
CID 56652319
acetic acid;3-(ethenoxymethyl)heptane
CID 174888380
4-(ethoxymethyl)nonane
CID 87066523
19-(methoxymethyl)heptatriacontane
CID 59499210
5-(methoxymethyl)decane
CID 123387036
4-(butoxymethyl)nonane
CID 87066766
tris(2-propylheptyl) borate
CID 89239536
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
13-propylheptacosane
CID 90872787

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)nonane?
The IUPAC name of 4-(ethenoxymethyl)nonane (CID 54548682) is 4-(ethenoxymethyl)nonane.
What is the SMILES notation for 4-(ethenoxymethyl)nonane?
The canonical SMILES for 4-(ethenoxymethyl)nonane is C=COCC(CCC)CCCCC.
What is the InChIKey of 4-(ethenoxymethyl)nonane?
The InChIKey is CBGGSJXBIHWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,12H,3-5,7-11H2,1-2H3.
What are the key properties of 4-(ethenoxymethyl)nonane?
4-(ethenoxymethyl)nonane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)nonane is sourced from PubChem (CID 54548682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).