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

C10H18O2 — CID 176605097

IUPAC4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(C)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-6-12-9-10(2)4-7-11-8-5-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeySEGAZQXKWNNOPJ-ZZXKWVIFSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

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

4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176605097) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176605097
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(C)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-6-12-9-10(2)4-7-11-8-5-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeySEGAZQXKWNNOPJ-ZZXKWVIFSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane (CID 176605097) is 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is SEGAZQXKWNNOPJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-12-9-10(2)4-7-11-8-5-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+.
What are the key properties of 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176605097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).