2-[3-(oxiran-2-yl)propyl]oxolane

C9H16O2 — CID 115410470

IUPAC2-[3-(oxiran-2-yl)propyl]oxolane
SMILESC1COC(CCCC2CO2)C1
InChIInChI=1S/C9H16O2/c1(4-9-7-11-9)3-8-5-2-6-10-8/h8-9H,1-7H2
InChIKeyGIIDYHXDMWYNLG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.73
Rot. Bonds4

About 2-[3-(oxiran-2-yl)propyl]oxolane

2-[3-(oxiran-2-yl)propyl]oxolane (PubChem CID 115410470) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[3-(oxiran-2-yl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(oxiran-2-yl)propyl]oxolane
PubChem CID115410470
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[3-(oxiran-2-yl)propyl]oxolane
SMILESC1COC(CCCC2CO2)C1
InChIInChI=1S/C9H16O2/c1(4-9-7-11-9)3-8-5-2-6-10-8/h8-9H,1-7H2
InChIKeyGIIDYHXDMWYNLG-UHFFFAOYSA-N
XLogP1.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(3-bromopropyl)oxolane
CID 15783712
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
2-tetradecyloxolane
CID 10683364
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
2-(3-chloropropyl)oxane
CID 23511686
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxiran-2-yl)propyl]oxolane?
The IUPAC name of 2-[3-(oxiran-2-yl)propyl]oxolane (CID 115410470) is 2-[3-(oxiran-2-yl)propyl]oxolane.
What is the SMILES notation for 2-[3-(oxiran-2-yl)propyl]oxolane?
The canonical SMILES for 2-[3-(oxiran-2-yl)propyl]oxolane is C1COC(CCCC2CO2)C1.
What is the InChIKey of 2-[3-(oxiran-2-yl)propyl]oxolane?
The InChIKey is GIIDYHXDMWYNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1(4-9-7-11-9)3-8-5-2-6-10-8/h8-9H,1-7H2.
What are the key properties of 2-[3-(oxiran-2-yl)propyl]oxolane?
2-[3-(oxiran-2-yl)propyl]oxolane has a molecular weight of 156.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-yl)propyl]oxolane is sourced from PubChem (CID 115410470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).