3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane

C11H20O2 — CID 177177757

IUPAC3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
SMILESC/C=C/CCOCC1(C)CCOC1
InChIInChI=1S/C11H20O2/c1-3-4-5-7-12-9-11(2)6-8-13-10-11/h3-4H,5-10H2,1-2H3/b4-3+
InChIKeyORZWHNSXESVTLJ-ONEGZZNKSA-N
MW184.28 g/mol
LogP2.40
Rot. Bonds5

About 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane

3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane (PubChem CID 177177757) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane.

Molecular Properties

Compound Name3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
PubChem CID177177757
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
SMILESC/C=C/CCOCC1(C)CCOC1
InChIInChI=1S/C11H20O2/c1-3-4-5-7-12-9-11(2)6-8-13-10-11/h3-4H,5-10H2,1-2H3/b4-3+
InChIKeyORZWHNSXESVTLJ-ONEGZZNKSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-3-[[(E)-pent-3-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

3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
3-methyl-3-(pent-4-enoxymethyl)oxetane
CID 154121324
(3-methyloxolan-3-yl)methanethiol
CID 155973621
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124
(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
CID 10022548
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
trimethoxy-[2-[(3-methyloxetan-3-yl)methoxy]ethyl]silane
CID 59725406
5-(methoxymethoxy)pent-2-ene
CID 151649835
5-(2-nitrosoethoxy)pent-2-ene
CID 91315143
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane?
The IUPAC name of 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane (CID 177177757) is 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane.
What is the SMILES notation for 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane?
The canonical SMILES for 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane is C/C=C/CCOCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane?
The InChIKey is ORZWHNSXESVTLJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-7-12-9-11(2)6-8-13-10-11/h3-4H,5-10H2,1-2H3/b4-3+.
What are the key properties of 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane?
3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane has a molecular weight of 184.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane is sourced from PubChem (CID 177177757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).