2-(2-prop-1-enoxyethyl)-2-propyloxirane

C10H18O2 — CID 54292674

IUPAC2-(2-prop-1-enoxyethyl)-2-propyloxirane
SMILESCC=COCCC1(CCC)CO1
InChIInChI=1S/C10H18O2/c1-3-5-10(9-12-10)6-8-11-7-4-2/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyRYPPYWNJNJEKHK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-prop-1-enoxyethyl)-2-propyloxirane

2-(2-prop-1-enoxyethyl)-2-propyloxirane (PubChem CID 54292674) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-prop-1-enoxyethyl)-2-propyloxirane.

Molecular Properties

Compound Name2-(2-prop-1-enoxyethyl)-2-propyloxirane
PubChem CID54292674
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-prop-1-enoxyethyl)-2-propyloxirane
SMILESCC=COCCC1(CCC)CO1
InChIInChI=1S/C10H18O2/c1-3-5-10(9-12-10)6-8-11-7-4-2/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyRYPPYWNJNJEKHK-UHFFFAOYSA-N
XLogP2.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(1-Prop-1-enoxypentan-2-yl)oxirane
CID 149992988
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
CID 150544683
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
2-(1-Prop-1-enoxybutan-2-yl)oxirane
CID 154281524
2-(2-But-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane
CID 173357257
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603384
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176605297

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-enoxyethyl)-2-propyloxirane?
The IUPAC name of 2-(2-prop-1-enoxyethyl)-2-propyloxirane (CID 54292674) is 2-(2-prop-1-enoxyethyl)-2-propyloxirane.
What is the SMILES notation for 2-(2-prop-1-enoxyethyl)-2-propyloxirane?
The canonical SMILES for 2-(2-prop-1-enoxyethyl)-2-propyloxirane is CC=COCCC1(CCC)CO1.
What is the InChIKey of 2-(2-prop-1-enoxyethyl)-2-propyloxirane?
The InChIKey is RYPPYWNJNJEKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-10(9-12-10)6-8-11-7-4-2/h4,7H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2-prop-1-enoxyethyl)-2-propyloxirane?
2-(2-prop-1-enoxyethyl)-2-propyloxirane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enoxyethyl)-2-propyloxirane is sourced from PubChem (CID 54292674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).