3-(dimethoxymethylidene)pentane

C8H16O2 — CID 139619701

IUPAC3-(dimethoxymethylidene)pentane
SMILESCCC(CC)=C(OC)OC
InChIInChI=1S/C8H16O2/c1-5-7(6-2)8(9-3)10-4/h5-6H2,1-4H3
InChIKeyARGBQXPKNZJFPZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds4

About 3-(dimethoxymethylidene)pentane

3-(dimethoxymethylidene)pentane (PubChem CID 139619701) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(dimethoxymethylidene)pentane.

Molecular Properties

Compound Name3-(dimethoxymethylidene)pentane
PubChem CID139619701
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(dimethoxymethylidene)pentane
SMILESCCC(CC)=C(OC)OC
InChIInChI=1S/C8H16O2/c1-5-7(6-2)8(9-3)10-4/h5-6H2,1-4H3
InChIKeyARGBQXPKNZJFPZ-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dimethoxymethylidene)pentane?
The IUPAC name of 3-(dimethoxymethylidene)pentane (CID 139619701) is 3-(dimethoxymethylidene)pentane.
What is the SMILES notation for 3-(dimethoxymethylidene)pentane?
The canonical SMILES for 3-(dimethoxymethylidene)pentane is CCC(CC)=C(OC)OC.
What is the InChIKey of 3-(dimethoxymethylidene)pentane?
The InChIKey is ARGBQXPKNZJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(6-2)8(9-3)10-4/h5-6H2,1-4H3.
What are the key properties of 3-(dimethoxymethylidene)pentane?
3-(dimethoxymethylidene)pentane has a molecular weight of 144.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethylidene)pentane is sourced from PubChem (CID 139619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).