3-(2-methoxyethoxymethylidene)pentane

C9H18O2 — CID 22234816

IUPAC3-(2-methoxyethoxymethylidene)pentane
SMILESCCC(=COCCOC)CC
InChIInChI=1S/C9H18O2/c1-4-9(5-2)8-11-7-6-10-3/h8H,4-7H2,1-3H3
InChIKeyLFJWXIYEQONGHO-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds6

About 3-(2-methoxyethoxymethylidene)pentane

3-(2-methoxyethoxymethylidene)pentane (PubChem CID 22234816) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethylidene)pentane.

Molecular Properties

Compound Name3-(2-methoxyethoxymethylidene)pentane
PubChem CID22234816
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(2-methoxyethoxymethylidene)pentane
SMILESCCC(=COCCOC)CC
InChIInChI=1S/C9H18O2/c1-4-9(5-2)8-11-7-6-10-3/h8H,4-7H2,1-3H3
InChIKeyLFJWXIYEQONGHO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethylidene)pentane?
The IUPAC name of 3-(2-methoxyethoxymethylidene)pentane (CID 22234816) is 3-(2-methoxyethoxymethylidene)pentane.
What is the SMILES notation for 3-(2-methoxyethoxymethylidene)pentane?
The canonical SMILES for 3-(2-methoxyethoxymethylidene)pentane is CCC(=COCCOC)CC.
What is the InChIKey of 3-(2-methoxyethoxymethylidene)pentane?
The InChIKey is LFJWXIYEQONGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(5-2)8-11-7-6-10-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxymethylidene)pentane?
3-(2-methoxyethoxymethylidene)pentane has a molecular weight of 158.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethylidene)pentane is sourced from PubChem (CID 22234816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).