4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane

C11H20O2 — CID 176602993

IUPAC4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCOCC1
InChIInChI=1S/C11H20O2/c1-3-7-12-8-4-11(2)5-9-13-10-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyRLZIOIAOBOZIAS-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane

4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176602993) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176602993
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCOCC1
InChIInChI=1S/C11H20O2/c1-3-7-12-8-4-11(2)5-9-13-10-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyRLZIOIAOBOZIAS-XVNBXDOJSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176602993) is 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is RLZIOIAOBOZIAS-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-12-8-4-11(2)5-9-13-10-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+.
What are the key properties of 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176602993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).