2-methoxy-3-prop-2-enoxyoxane

C9H16O3 — CID 53235923

IUPAC2-methoxy-3-prop-2-enoxyoxane
SMILESC=CCOC1CCCOC1OC
InChIInChI=1S/C9H16O3/c1-3-6-11-8-5-4-7-12-9(8)10-2/h3,8-9H,1,4-7H2,2H3
InChIKeyZYULDDZNUCUKHJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds4

About 2-methoxy-3-prop-2-enoxyoxane

2-methoxy-3-prop-2-enoxyoxane (PubChem CID 53235923) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methoxy-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-methoxy-3-prop-2-enoxyoxane
PubChem CID53235923
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methoxy-3-prop-2-enoxyoxane
SMILESC=CCOC1CCCOC1OC
InChIInChI=1S/C9H16O3/c1-3-6-11-8-5-4-7-12-9(8)10-2/h3,8-9H,1,4-7H2,2H3
InChIKeyZYULDDZNUCUKHJ-UHFFFAOYSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-3-prop-2-enoxyoxane?
The IUPAC name of 2-methoxy-3-prop-2-enoxyoxane (CID 53235923) is 2-methoxy-3-prop-2-enoxyoxane.
What is the SMILES notation for 2-methoxy-3-prop-2-enoxyoxane?
The canonical SMILES for 2-methoxy-3-prop-2-enoxyoxane is C=CCOC1CCCOC1OC.
What is the InChIKey of 2-methoxy-3-prop-2-enoxyoxane?
The InChIKey is ZYULDDZNUCUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-6-11-8-5-4-7-12-9(8)10-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-methoxy-3-prop-2-enoxyoxane?
2-methoxy-3-prop-2-enoxyoxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-prop-2-enoxyoxane is sourced from PubChem (CID 53235923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).