(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane

C18H34O2 — CID 92538674

IUPAC(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
SMILESC(CCCCCCC[C@H]1CO1)CCCCCC[C@@H]1CO1
InChIInChI=1S/C18H34O2/c1(3-5-7-9-11-13-17-15-19-17)2-4-6-8-10-12-14-18-16-20-18/h17-18H,1-16H2/t17-,18+
InChIKeyWSOIAYXUPXLABQ-HDICACEKSA-N
MW282.47 g/mol
LogP5.25
Rot. Bonds15

About (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane

(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane (PubChem CID 92538674) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
PubChem CID92538674
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
SMILESC(CCCCCCC[C@H]1CO1)CCCCCC[C@@H]1CO1
InChIInChI=1S/C18H34O2/c1(3-5-7-9-11-13-17-15-19-17)2-4-6-8-10-12-14-18-16-20-18/h17-18H,1-16H2/t17-,18+
InChIKeyWSOIAYXUPXLABQ-HDICACEKSA-N
XLogP5.25
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.25
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
2-(25-chloropentacosyl)oxirane
CID 89371586
(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
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180
(2S)-2-[6-[(2S)-oxiran-2-yl]hexyl]aziridine
CID 99770576

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane?
The IUPAC name of (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane (CID 92538674) is (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane.
What is the SMILES notation for (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane?
The canonical SMILES for (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane is C(CCCCCCC[C@H]1CO1)CCCCCC[C@@H]1CO1.
What is the InChIKey of (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane?
The InChIKey is WSOIAYXUPXLABQ-HDICACEKSA-N. The full InChI is InChI=1S/C18H34O2/c1(3-5-7-9-11-13-17-15-19-17)2-4-6-8-10-12-14-18-16-20-18/h17-18H,1-16H2/t17-,18+.
What are the key properties of (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane?
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane has a molecular weight of 282.47 g/mol, XLogP of 5.25, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane is sourced from PubChem (CID 92538674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).