ethene;2-hexadecyloxirane

C20H40O — CID 174880180

IUPACethene;2-hexadecyloxirane
SMILESC=C.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2/h18H,2-17H2,1H3;1-2H2
InChIKeyCPWOQAWWPLENFI-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.06
Rot. Bonds15

About ethene;2-hexadecyloxirane

ethene;2-hexadecyloxirane (PubChem CID 174880180) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is ethene;2-hexadecyloxirane.

Molecular Properties

Compound Nameethene;2-hexadecyloxirane
PubChem CID174880180
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Nameethene;2-hexadecyloxirane
SMILESC=C.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2/h18H,2-17H2,1H3;1-2H2
InChIKeyCPWOQAWWPLENFI-UHFFFAOYSA-N
XLogP7.06
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-hexadecyloxirane;oxirane
CID 175319175
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-nonadec-10-enyloxirane
CID 54194145
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of ethene;2-hexadecyloxirane?
The IUPAC name of ethene;2-hexadecyloxirane (CID 174880180) is ethene;2-hexadecyloxirane.
What is the SMILES notation for ethene;2-hexadecyloxirane?
The canonical SMILES for ethene;2-hexadecyloxirane is C=C.CCCCCCCCCCCCCCCCC1CO1.
What is the InChIKey of ethene;2-hexadecyloxirane?
The InChIKey is CPWOQAWWPLENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2/h18H,2-17H2,1H3;1-2H2.
What are the key properties of ethene;2-hexadecyloxirane?
ethene;2-hexadecyloxirane has a molecular weight of 296.54 g/mol, XLogP of 7.06, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hexadecyloxirane is sourced from PubChem (CID 174880180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).