2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane

C16H30O3 — CID 56989250

IUPAC2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
SMILESCCCCC1OC1CCOCCC1OC1CCCC
InChIInChI=1S/C16H30O3/c1-3-5-7-13-15(18-13)9-11-17-12-10-16-14(19-16)8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyBCDZDVAPWULJJV-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.70
Rot. Bonds12

About 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane

2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane (PubChem CID 56989250) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
PubChem CID56989250
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
SMILESCCCCC1OC1CCOCCC1OC1CCCC
InChIInChI=1S/C16H30O3/c1-3-5-7-13-15(18-13)9-11-17-12-10-16-14(19-16)8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyBCDZDVAPWULJJV-UHFFFAOYSA-N
XLogP3.70
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-butyl-3-undecyloxirane
CID 88518775
(2S,3R)-2-(2-methoxyethyl)-3-octyloxirane
CID 71399049
(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
CID 15326198
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
CID 135010286
2-ethyl-3-henicosyloxirane
CID 20501424
2-(methoxymethyl)-3-pentyloxirane
CID 18795099
(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
CID 14928829

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane?
The IUPAC name of 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane (CID 56989250) is 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane.
What is the SMILES notation for 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane?
The canonical SMILES for 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane is CCCCC1OC1CCOCCC1OC1CCCC.
What is the InChIKey of 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane?
The InChIKey is BCDZDVAPWULJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-5-7-13-15(18-13)9-11-17-12-10-16-14(19-16)8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane?
2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane has a molecular weight of 270.41 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane is sourced from PubChem (CID 56989250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).