3-(2-methylpropoxymethylidene)pentane

C10H20O — CID 22234806

IUPAC3-(2-methylpropoxymethylidene)pentane
SMILESCCC(=COCC(C)C)CC
InChIInChI=1S/C10H20O/c1-5-10(6-2)8-11-7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJYAHAIFZPJFJEK-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds5

About 3-(2-methylpropoxymethylidene)pentane

3-(2-methylpropoxymethylidene)pentane (PubChem CID 22234806) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(2-methylpropoxymethylidene)pentane.

Molecular Properties

Compound Name3-(2-methylpropoxymethylidene)pentane
PubChem CID22234806
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-(2-methylpropoxymethylidene)pentane
SMILESCCC(=COCC(C)C)CC
InChIInChI=1S/C10H20O/c1-5-10(6-2)8-11-7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJYAHAIFZPJFJEK-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxymethylidene)pentane?
The IUPAC name of 3-(2-methylpropoxymethylidene)pentane (CID 22234806) is 3-(2-methylpropoxymethylidene)pentane.
What is the SMILES notation for 3-(2-methylpropoxymethylidene)pentane?
The canonical SMILES for 3-(2-methylpropoxymethylidene)pentane is CCC(=COCC(C)C)CC.
What is the InChIKey of 3-(2-methylpropoxymethylidene)pentane?
The InChIKey is JYAHAIFZPJFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(6-2)8-11-7-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2-methylpropoxymethylidene)pentane?
3-(2-methylpropoxymethylidene)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxymethylidene)pentane is sourced from PubChem (CID 22234806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).