(2R)-2-octadecyloxirane

C20H40O — CID 98043533

IUPAC(2R)-2-octadecyloxirane
SMILESCCCCCCCCCCCCCCCCCC[C@@H]1CO1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3/t20-/m1/s1
InChIKeyBHZBVWCLMYQFQX-HXUWFJFHSA-N
MW296.54 g/mol
LogP7.04
Rot. Bonds17

About (2R)-2-octadecyloxirane

(2R)-2-octadecyloxirane (PubChem CID 98043533) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (2R)-2-octadecyloxirane.

Molecular Properties

Compound Name(2R)-2-octadecyloxirane
PubChem CID98043533
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(2R)-2-octadecyloxirane
SMILESCCCCCCCCCCCCCCCCCC[C@@H]1CO1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3/t20-/m1/s1
InChIKeyBHZBVWCLMYQFQX-HXUWFJFHSA-N
XLogP7.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
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
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 (2R)-2-octadecyloxirane?
The IUPAC name of (2R)-2-octadecyloxirane (CID 98043533) is (2R)-2-octadecyloxirane.
What is the SMILES notation for (2R)-2-octadecyloxirane?
The canonical SMILES for (2R)-2-octadecyloxirane is CCCCCCCCCCCCCCCCCC[C@@H]1CO1.
What is the InChIKey of (2R)-2-octadecyloxirane?
The InChIKey is BHZBVWCLMYQFQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-octadecyloxirane?
(2R)-2-octadecyloxirane has a molecular weight of 296.54 g/mol, XLogP of 7.04, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-octadecyloxirane is sourced from PubChem (CID 98043533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).