oxolane;2-propyloxirane

C9H18O2 — CID 175023929

IUPACoxolane;2-propyloxirane
SMILESC1CCOC1.CCCC1CO1
InChIInChI=1S/C5H10O.C4H8O/c1-2-3-5-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeyMOTWKOBIJOJSFX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About oxolane;2-propyloxirane

oxolane;2-propyloxirane (PubChem CID 175023929) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is oxolane;2-propyloxirane.

Molecular Properties

Compound Nameoxolane;2-propyloxirane
PubChem CID175023929
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameoxolane;2-propyloxirane
SMILESC1CCOC1.CCCC1CO1
InChIInChI=1S/C5H10O.C4H8O/c1-2-3-5-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeyMOTWKOBIJOJSFX-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
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

CID 175475934
CID 175475934
2-hexadecyloxirane;oxirane
CID 175319175
6-propyl-1,3,5-trioxepane
CID 139790394
2-(butoxymethyl)oxirane;oxonane
CID 20569142
bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)
CID 157353919
(2R)-2-pentyloxirane
CID 11147691
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
2-hexyloxolane;oxolane
CID 173130151
2,5-dipropyloxane
CID 118909754
(2R)-2-octadecyloxirane
CID 98043533
2-hexadecyloxirane;tetradecane
CID 174899291
2-tetradecyloxirane
CID 23741

Frequently Asked Questions

What is the IUPAC name of oxolane;2-propyloxirane?
The IUPAC name of oxolane;2-propyloxirane (CID 175023929) is oxolane;2-propyloxirane.
What is the SMILES notation for oxolane;2-propyloxirane?
The canonical SMILES for oxolane;2-propyloxirane is C1CCOC1.CCCC1CO1.
What is the InChIKey of oxolane;2-propyloxirane?
The InChIKey is MOTWKOBIJOJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H8O/c1-2-3-5-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2.
What are the key properties of oxolane;2-propyloxirane?
oxolane;2-propyloxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;2-propyloxirane is sourced from PubChem (CID 175023929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).