3-(methoxymethylidene)pentane

C7H14O — CID 22234822

IUPAC3-(methoxymethylidene)pentane
SMILESCCC(=COC)CC
InChIInChI=1S/C7H14O/c1-4-7(5-2)6-8-3/h6H,4-5H2,1-3H3
InChIKeyQIKQZNVUXFEASZ-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds3

About 3-(methoxymethylidene)pentane

3-(methoxymethylidene)pentane (PubChem CID 22234822) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-(methoxymethylidene)pentane.

Molecular Properties

Compound Name3-(methoxymethylidene)pentane
PubChem CID22234822
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-(methoxymethylidene)pentane
SMILESCCC(=COC)CC
InChIInChI=1S/C7H14O/c1-4-7(5-2)6-8-3/h6H,4-5H2,1-3H3
InChIKeyQIKQZNVUXFEASZ-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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-(methoxymethylidene)pentane?
The IUPAC name of 3-(methoxymethylidene)pentane (CID 22234822) is 3-(methoxymethylidene)pentane.
What is the SMILES notation for 3-(methoxymethylidene)pentane?
The canonical SMILES for 3-(methoxymethylidene)pentane is CCC(=COC)CC.
What is the InChIKey of 3-(methoxymethylidene)pentane?
The InChIKey is QIKQZNVUXFEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(5-2)6-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-(methoxymethylidene)pentane?
3-(methoxymethylidene)pentane has a molecular weight of 114.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)pentane is sourced from PubChem (CID 22234822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).