3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane

C9H16O2 — CID 176603529

IUPAC3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(C)CCOC1
InChIInChI=1S/C9H16O2/c1-3-5-10-7-9(2)4-6-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyJDSSJNQTQAAMOB-HWKANZROSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane

3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane (PubChem CID 176603529) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane.

Molecular Properties

Compound Name3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
PubChem CID176603529
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(C)CCOC1
InChIInChI=1S/C9H16O2/c1-3-5-10-7-9(2)4-6-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyJDSSJNQTQAAMOB-HWKANZROSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
CID 15357021
1-Prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
CID 57006238
3-Ethyl-3-(4-prop-1-enoxybutoxymethyl)oxetane
CID 149709408
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
3-(Ethenoxymethyl)-3-methyloxolane
CID 176603173
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176604696
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176605430
1-[(Z)-prop-1-enoxy]-2,2-bis[[(Z)-prop-1-enoxy]methyl]butane
CID 10901197
1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
CID 11128061
1-butoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
CID 102445941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The IUPAC name of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane (CID 176603529) is 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane.
What is the SMILES notation for 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The canonical SMILES for 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane is C/C=C/OCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The InChIKey is JDSSJNQTQAAMOB-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-10-7-9(2)4-6-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane is sourced from PubChem (CID 176603529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).