2-(3-propylheptoxymethyl)oxirane

C13H26O2 — CID 169085823

IUPAC2-(3-propylheptoxymethyl)oxirane
SMILESCCCCC(CCC)CCOCC1CO1
InChIInChI=1S/C13H26O2/c1-3-5-7-12(6-4-2)8-9-14-10-13-11-15-13/h12-13H,3-11H2,1-2H3
InChIKeyYWWKEINGJGIKIZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.40
Rot. Bonds10

About 2-(3-propylheptoxymethyl)oxirane

2-(3-propylheptoxymethyl)oxirane (PubChem CID 169085823) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-propylheptoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-propylheptoxymethyl)oxirane
PubChem CID169085823
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-(3-propylheptoxymethyl)oxirane
SMILESCCCCC(CCC)CCOCC1CO1
InChIInChI=1S/C13H26O2/c1-3-5-7-12(6-4-2)8-9-14-10-13-11-15-13/h12-13H,3-11H2,1-2H3
InChIKeyYWWKEINGJGIKIZ-UHFFFAOYSA-N
XLogP3.40
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-[(10,10,10-tributoxy-4-propyldecoxy)methyl]oxirane
CID 152665625
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(propoxymethyl)oxirane
CID 18406

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylheptoxymethyl)oxirane?
The IUPAC name of 2-(3-propylheptoxymethyl)oxirane (CID 169085823) is 2-(3-propylheptoxymethyl)oxirane.
What is the SMILES notation for 2-(3-propylheptoxymethyl)oxirane?
The canonical SMILES for 2-(3-propylheptoxymethyl)oxirane is CCCCC(CCC)CCOCC1CO1.
What is the InChIKey of 2-(3-propylheptoxymethyl)oxirane?
The InChIKey is YWWKEINGJGIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-7-12(6-4-2)8-9-14-10-13-11-15-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(3-propylheptoxymethyl)oxirane?
2-(3-propylheptoxymethyl)oxirane has a molecular weight of 214.35 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylheptoxymethyl)oxirane is sourced from PubChem (CID 169085823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).