2-(icosan-9-yloxymethyl)oxirane

C23H46O2 — CID 19926010

IUPAC2-(icosan-9-yloxymethyl)oxirane
SMILESCCCCCCCCCCCC(CCCCCCCC)OCC1CO1
InChIInChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-15-17-19-22(24-20-23-21-25-23)18-16-14-10-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKeyPGQLONLUTCVCQA-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.44
Rot. Bonds20

About 2-(icosan-9-yloxymethyl)oxirane

2-(icosan-9-yloxymethyl)oxirane (PubChem CID 19926010) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-(icosan-9-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(icosan-9-yloxymethyl)oxirane
PubChem CID19926010
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name2-(icosan-9-yloxymethyl)oxirane
SMILESCCCCCCCCCCCC(CCCCCCCC)OCC1CO1
InChIInChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-15-17-19-22(24-20-23-21-25-23)18-16-14-10-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKeyPGQLONLUTCVCQA-UHFFFAOYSA-N
XLogP7.44
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.44
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-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(1-bromoheptoxymethyl)oxirane
CID 88600331
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane
CID 88825288
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine
CID 151145723
trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
CID 175003843
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006

Frequently Asked Questions

What is the IUPAC name of 2-(icosan-9-yloxymethyl)oxirane?
The IUPAC name of 2-(icosan-9-yloxymethyl)oxirane (CID 19926010) is 2-(icosan-9-yloxymethyl)oxirane.
What is the SMILES notation for 2-(icosan-9-yloxymethyl)oxirane?
The canonical SMILES for 2-(icosan-9-yloxymethyl)oxirane is CCCCCCCCCCCC(CCCCCCCC)OCC1CO1.
What is the InChIKey of 2-(icosan-9-yloxymethyl)oxirane?
The InChIKey is PGQLONLUTCVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-15-17-19-22(24-20-23-21-25-23)18-16-14-10-8-6-4-2/h22-23H,3-21H2,1-2H3.
What are the key properties of 2-(icosan-9-yloxymethyl)oxirane?
2-(icosan-9-yloxymethyl)oxirane has a molecular weight of 354.62 g/mol, XLogP of 7.44, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(icosan-9-yloxymethyl)oxirane is sourced from PubChem (CID 19926010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).