2-(1-methoxypentyl)-3-propyloxirane

C11H22O2 — CID 18795101

IUPAC2-(1-methoxypentyl)-3-propyloxirane
SMILESCCCCC(OC)C1OC1CCC
InChIInChI=1S/C11H22O2/c1-4-6-8-9(12-3)11-10(13-11)7-5-2/h9-11H,4-8H2,1-3H3
InChIKeyKQSXLALRVMOIHX-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds7

About 2-(1-methoxypentyl)-3-propyloxirane

2-(1-methoxypentyl)-3-propyloxirane (PubChem CID 18795101) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(1-methoxypentyl)-3-propyloxirane.

Molecular Properties

Compound Name2-(1-methoxypentyl)-3-propyloxirane
PubChem CID18795101
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(1-methoxypentyl)-3-propyloxirane
SMILESCCCCC(OC)C1OC1CCC
InChIInChI=1S/C11H22O2/c1-4-6-8-9(12-3)11-10(13-11)7-5-2/h9-11H,4-8H2,1-3H3
InChIKeyKQSXLALRVMOIHX-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
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-octyl-3-propan-2-yloxirane
CID 123177081
1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
CID 130905910
[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol
CID 102185892
2-[heptoxy-(3-hexyloxiran-2-yl)methyl]-3-hexyloxirane
CID 58741730
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
2-hexan-2-yl-3-nonan-5-yloxirane
CID 123413596
ethane;2-methoxyhexane
CID 91199174
(5S)-5-methoxyundecane
CID 118889956
1-fluoro-1-methoxypentane
CID 138657313

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypentyl)-3-propyloxirane?
The IUPAC name of 2-(1-methoxypentyl)-3-propyloxirane (CID 18795101) is 2-(1-methoxypentyl)-3-propyloxirane.
What is the SMILES notation for 2-(1-methoxypentyl)-3-propyloxirane?
The canonical SMILES for 2-(1-methoxypentyl)-3-propyloxirane is CCCCC(OC)C1OC1CCC.
What is the InChIKey of 2-(1-methoxypentyl)-3-propyloxirane?
The InChIKey is KQSXLALRVMOIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-8-9(12-3)11-10(13-11)7-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(1-methoxypentyl)-3-propyloxirane?
2-(1-methoxypentyl)-3-propyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypentyl)-3-propyloxirane is sourced from PubChem (CID 18795101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).