bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)

C54H108O12 — CID 157353919

IUPACbis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)
SMILESC1CO1.C1CO1.CC1CO1.CC1CO1.CCC1CO1.CCC1CO1.CCCC1CO1.CCCC1CO1.CCCCC1CO1.CCCCC1CO1.CCCCCC1CO1.CCCCCC1CO1
InChIInChI=1S/2C7H14O.2C6H12O.2C5H10O.2C4H8O.2C3H6O.2C2H4O/c2*1-2-3-4-5-7-6-8-7;2*1-2-3-4-6-5-7-6;2*1-2-3-5-4-6-5;2*1-2-4-3-5-4;2*1-3-2-4-3;2*1-2-3-1/h2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;2*5H,2-4H2,1H3;2*4H,2-3H2,1H3;2*3H,2H2,1H3;2*1-2H2
InChIKeyBHVWEXSIQIZXLM-UHFFFAOYSA-N
MW949.45 g/mol
LogP11.89
Rot. Bonds20

About bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)

bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane) (PubChem CID 157353919) has the molecular formula C54H108O12 and a molecular weight of 949.45 g/mol. Its IUPAC name is bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane).

Molecular Properties

Compound Namebis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)
PubChem CID157353919
Molecular FormulaC54H108O12
Molecular Weight949.45 g/mol
Exact Mass948.78
IUPAC Namebis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)
SMILESC1CO1.C1CO1.CC1CO1.CC1CO1.CCC1CO1.CCC1CO1.CCCC1CO1.CCCC1CO1.CCCCC1CO1.CCCCC1CO1.CCCCCC1CO1.CCCCCC1CO1
InChIInChI=1S/2C7H14O.2C6H12O.2C5H10O.2C4H8O.2C3H6O.2C2H4O/c2*1-2-3-4-5-7-6-8-7;2*1-2-3-4-6-5-7-6;2*1-2-3-5-4-6-5;2*1-2-4-3-5-4;2*1-3-2-4-3;2*1-2-3-1/h2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;2*5H,2-4H2,1H3;2*4H,2-3H2,1H3;2*3H,2H2,1H3;2*1-2H2
InChIKeyBHVWEXSIQIZXLM-UHFFFAOYSA-N
XLogP11.89
TPSA150.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.45
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-hexadecyloxirane;oxirane
CID 175319175
(2R)-2-pentyloxirane
CID 11147691
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-tetratetracontyloxirane
CID 102093754
2-hexadecyloxirane;tetradecane
CID 174899291
ethane;2-ethyloxirane;hexane
CID 91113410
2-pentadecyl-1,4-dioxane
CID 150124188
ethene;2-hexadecyloxirane
CID 174880180

Frequently Asked Questions

What is the IUPAC name of bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)?
The IUPAC name of bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane) (CID 157353919) is bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane).
What is the SMILES notation for bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)?
The canonical SMILES for bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane) is C1CO1.C1CO1.CC1CO1.CC1CO1.CCC1CO1.CCC1CO1.CCCC1CO1.CCCC1CO1.CCCCC1CO1.CCCCC1CO1.CCCCCC1CO1.CCCCCC1CO1.
What is the InChIKey of bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)?
The InChIKey is BHVWEXSIQIZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O.2C6H12O.2C5H10O.2C4H8O.2C3H6O.2C2H4O/c2*1-2-3-4-5-7-6-8-7;2*1-2-3-4-6-5-7-6;2*1-2-3-5-4-6-5;2*1-2-4-3-5-4;2*1-3-2-4-3;2*1-2-3-1/h2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;2*5H,2-4H2,1H3;2*4H,2-3H2,1H3;2*3H,2H2,1H3;2*1-2H2.
What are the key properties of bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)?
bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane) has a molecular weight of 949.45 g/mol, XLogP of 11.89, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane) is sourced from PubChem (CID 157353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).