3,3-bis(prop-2-enyl)oxetane

C9H14O — CID 57221746

IUPAC3,3-bis(prop-2-enyl)oxetane
SMILESC=CCC1(CC=C)COC1
InChIInChI=1S/C9H14O/c1-3-5-9(6-4-2)7-10-8-9/h3-4H,1-2,5-8H2
InChIKeyZZZXDPBANMQOKP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds4

About 3,3-bis(prop-2-enyl)oxetane

3,3-bis(prop-2-enyl)oxetane (PubChem CID 57221746) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)oxetane.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)oxetane
PubChem CID57221746
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3,3-bis(prop-2-enyl)oxetane
SMILESC=CCC1(CC=C)COC1
InChIInChI=1S/C9H14O/c1-3-5-9(6-4-2)7-10-8-9/h3-4H,1-2,5-8H2
InChIKeyZZZXDPBANMQOKP-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-bis(prop-2-enyl)oxetane?
The IUPAC name of 3,3-bis(prop-2-enyl)oxetane (CID 57221746) is 3,3-bis(prop-2-enyl)oxetane.
What is the SMILES notation for 3,3-bis(prop-2-enyl)oxetane?
The canonical SMILES for 3,3-bis(prop-2-enyl)oxetane is C=CCC1(CC=C)COC1.
What is the InChIKey of 3,3-bis(prop-2-enyl)oxetane?
The InChIKey is ZZZXDPBANMQOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-9(6-4-2)7-10-8-9/h3-4H,1-2,5-8H2.
What are the key properties of 3,3-bis(prop-2-enyl)oxetane?
3,3-bis(prop-2-enyl)oxetane has a molecular weight of 138.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)oxetane is sourced from PubChem (CID 57221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).