2-but-3-en-2-yloxyoxane

C9H16O2 — CID 13307470

IUPAC2-but-3-en-2-yloxyoxane
SMILESC=CC(C)OC1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBNMTZMVOUYLKCV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 2-but-3-en-2-yloxyoxane

2-but-3-en-2-yloxyoxane (PubChem CID 13307470) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-but-3-en-2-yloxyoxane.

Molecular Properties

Compound Name2-but-3-en-2-yloxyoxane
PubChem CID13307470
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-but-3-en-2-yloxyoxane
SMILESC=CC(C)OC1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBNMTZMVOUYLKCV-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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-en-2-yloxyoxane?
The IUPAC name of 2-but-3-en-2-yloxyoxane (CID 13307470) is 2-but-3-en-2-yloxyoxane.
What is the SMILES notation for 2-but-3-en-2-yloxyoxane?
The canonical SMILES for 2-but-3-en-2-yloxyoxane is C=CC(C)OC1CCCCO1.
What is the InChIKey of 2-but-3-en-2-yloxyoxane?
The InChIKey is BNMTZMVOUYLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-but-3-en-2-yloxyoxane?
2-but-3-en-2-yloxyoxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxyoxane is sourced from PubChem (CID 13307470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).