2-hexadecyloxirane;oxirane

C20H40O2 — CID 175319175

IUPAC2-hexadecyloxirane;oxirane
SMILESC1CO1.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-1/h18H,2-17H2,1H3;1-2H2
InChIKeyGAQRHPZWLRWESM-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.27
Rot. Bonds15

About 2-hexadecyloxirane;oxirane

2-hexadecyloxirane;oxirane (PubChem CID 175319175) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-hexadecyloxirane;oxirane.

Molecular Properties

Compound Name2-hexadecyloxirane;oxirane
PubChem CID175319175
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-hexadecyloxirane;oxirane
SMILESC1CO1.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-1/h18H,2-17H2,1H3;1-2H2
InChIKeyGAQRHPZWLRWESM-UHFFFAOYSA-N
XLogP6.27
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.27
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-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
2-pentadecyl-1,4-dioxane
CID 150124188
ethene;2-hexadecyloxirane
CID 174880180
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
bis(2-butyloxirane);bis(2-ethyloxirane);bis(2-methyloxirane);oxirane;bis(2-pentyloxirane);bis(2-propyloxirane)
CID 157353919

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyloxirane;oxirane?
The IUPAC name of 2-hexadecyloxirane;oxirane (CID 175319175) is 2-hexadecyloxirane;oxirane.
What is the SMILES notation for 2-hexadecyloxirane;oxirane?
The canonical SMILES for 2-hexadecyloxirane;oxirane is C1CO1.CCCCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-hexadecyloxirane;oxirane?
The InChIKey is GAQRHPZWLRWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-1/h18H,2-17H2,1H3;1-2H2.
What are the key properties of 2-hexadecyloxirane;oxirane?
2-hexadecyloxirane;oxirane has a molecular weight of 312.54 g/mol, XLogP of 6.27, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyloxirane;oxirane is sourced from PubChem (CID 175319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).