3-(2-methylprop-1-enoxymethyl)oxane

C10H18O2 — CID 176605197

IUPAC3-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeySVXKGXUMNDSRPE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-methylprop-1-enoxymethyl)oxane

3-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176605197) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176605197
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeySVXKGXUMNDSRPE-UHFFFAOYSA-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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Related Compounds

3-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150247617
3-[3-(2-Methylprop-1-enoxy)propyl]oxetane
CID 176603225
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603628
3-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176603720
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176604819
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxane
CID 176605098

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 3-(2-methylprop-1-enoxymethyl)oxane (CID 176605197) is 3-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 3-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 3-(2-methylprop-1-enoxymethyl)oxane is CC(C)=COCC1CCCOC1.
What is the InChIKey of 3-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is SVXKGXUMNDSRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxymethyl)oxane?
3-(2-methylprop-1-enoxymethyl)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 3-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176605197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).