2-hexadecyloxirane;2-hexyloxirane

C26H52O2 — CID 161227178

IUPAC2-hexadecyloxirane;2-hexyloxirane
SMILESCCCCCCC1CO1.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C8H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-4-5-6-8-7-9-8/h18H,2-17H2,1H3;8H,2-7H2,1H3
InChIKeyUYGYSGRWWLLFGD-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.61
Rot. Bonds20

About 2-hexadecyloxirane;2-hexyloxirane

2-hexadecyloxirane;2-hexyloxirane (PubChem CID 161227178) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 2-hexadecyloxirane;2-hexyloxirane.

Molecular Properties

Compound Name2-hexadecyloxirane;2-hexyloxirane
PubChem CID161227178
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name2-hexadecyloxirane;2-hexyloxirane
SMILESCCCCCCC1CO1.CCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C18H36O.C8H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-4-5-6-8-7-9-8/h18H,2-17H2,1H3;8H,2-7H2,1H3
InChIKeyUYGYSGRWWLLFGD-UHFFFAOYSA-N
XLogP8.61
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.61
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;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180
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 2-hexadecyloxirane;2-hexyloxirane?
The IUPAC name of 2-hexadecyloxirane;2-hexyloxirane (CID 161227178) is 2-hexadecyloxirane;2-hexyloxirane.
What is the SMILES notation for 2-hexadecyloxirane;2-hexyloxirane?
The canonical SMILES for 2-hexadecyloxirane;2-hexyloxirane is CCCCCCC1CO1.CCCCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-hexadecyloxirane;2-hexyloxirane?
The InChIKey is UYGYSGRWWLLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C8H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18;1-2-3-4-5-6-8-7-9-8/h18H,2-17H2,1H3;8H,2-7H2,1H3.
What are the key properties of 2-hexadecyloxirane;2-hexyloxirane?
2-hexadecyloxirane;2-hexyloxirane has a molecular weight of 396.70 g/mol, XLogP of 8.61, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyloxirane;2-hexyloxirane is sourced from PubChem (CID 161227178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).