2-(4-prop-1-enoxybutoxymethyl)oxirane

C10H18O3 — CID 139917764

IUPAC2-(4-prop-1-enoxybutoxymethyl)oxirane
SMILESCC=COCCCCOCC1CO1
InChIInChI=1S/C10H18O3/c1-2-5-11-6-3-4-7-12-8-10-9-13-10/h2,5,10H,3-4,6-9H2,1H3
InChIKeyHTRXVCGVCJCQMX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds8

About 2-(4-prop-1-enoxybutoxymethyl)oxirane

2-(4-prop-1-enoxybutoxymethyl)oxirane (PubChem CID 139917764) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(4-prop-1-enoxybutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-prop-1-enoxybutoxymethyl)oxirane
PubChem CID139917764
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(4-prop-1-enoxybutoxymethyl)oxirane
SMILESCC=COCCCCOCC1CO1
InChIInChI=1S/C10H18O3/c1-2-5-11-6-3-4-7-12-8-10-9-13-10/h2,5,10H,3-4,6-9H2,1H3
InChIKeyHTRXVCGVCJCQMX-UHFFFAOYSA-N
XLogP1.73
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Epoxy-3-(propenyloxy)propane
CID 6436935
2-[(1-Propen-1-yloxy)methyl]oxirane
CID 102656
2-[[(Z)-prop-1-enoxy]methyl]oxirane
CID 11126219
1,2,3-Tris(1-propenoxy)propane
CID 53719872
2-{[4-(Ethenyloxy)butoxy]methyl}oxirane
CID 12963102
1,2,3-tris[(E)-prop-1-enoxy]propane
CID 22051876
2-(2-Prop-1-enoxyethyl)oxirane
CID 53632972
2,2-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
1,2,3,4-Tetrakis(prop-1-enoxy)butane
CID 54519891
1-Prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
CID 87865650
1,2-Bis(prop-1-enoxy)butane
CID 87913408

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-enoxybutoxymethyl)oxirane?
The IUPAC name of 2-(4-prop-1-enoxybutoxymethyl)oxirane (CID 139917764) is 2-(4-prop-1-enoxybutoxymethyl)oxirane.
What is the SMILES notation for 2-(4-prop-1-enoxybutoxymethyl)oxirane?
The canonical SMILES for 2-(4-prop-1-enoxybutoxymethyl)oxirane is CC=COCCCCOCC1CO1.
What is the InChIKey of 2-(4-prop-1-enoxybutoxymethyl)oxirane?
The InChIKey is HTRXVCGVCJCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-5-11-6-3-4-7-12-8-10-9-13-10/h2,5,10H,3-4,6-9H2,1H3.
What are the key properties of 2-(4-prop-1-enoxybutoxymethyl)oxirane?
2-(4-prop-1-enoxybutoxymethyl)oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-enoxybutoxymethyl)oxirane is sourced from PubChem (CID 139917764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).