2-but-3-enyl-5-(methoxymethyl)oxolane

C10H18O2 — CID 102309291

IUPAC2-but-3-enyl-5-(methoxymethyl)oxolane
SMILESC=CCCC1CCC(COC)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-9-6-7-10(12-9)8-11-2/h3,9-10H,1,4-8H2,2H3
InChIKeyPEUKRSLHJNGRHB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds5

About 2-but-3-enyl-5-(methoxymethyl)oxolane

2-but-3-enyl-5-(methoxymethyl)oxolane (PubChem CID 102309291) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-but-3-enyl-5-(methoxymethyl)oxolane.

Molecular Properties

Compound Name2-but-3-enyl-5-(methoxymethyl)oxolane
PubChem CID102309291
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-but-3-enyl-5-(methoxymethyl)oxolane
SMILESC=CCCC1CCC(COC)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-9-6-7-10(12-9)8-11-2/h3,9-10H,1,4-8H2,2H3
InChIKeyPEUKRSLHJNGRHB-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-5-(methoxymethyl)oxolane?
The IUPAC name of 2-but-3-enyl-5-(methoxymethyl)oxolane (CID 102309291) is 2-but-3-enyl-5-(methoxymethyl)oxolane.
What is the SMILES notation for 2-but-3-enyl-5-(methoxymethyl)oxolane?
The canonical SMILES for 2-but-3-enyl-5-(methoxymethyl)oxolane is C=CCCC1CCC(COC)O1.
What is the InChIKey of 2-but-3-enyl-5-(methoxymethyl)oxolane?
The InChIKey is PEUKRSLHJNGRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-9-6-7-10(12-9)8-11-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-but-3-enyl-5-(methoxymethyl)oxolane?
2-but-3-enyl-5-(methoxymethyl)oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-(methoxymethyl)oxolane is sourced from PubChem (CID 102309291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).