2-(tetradecan-4-yloxymethyl)oxirane

C17H34O2 — CID 172858851

IUPAC2-(tetradecan-4-yloxymethyl)oxirane
SMILESCCCCCCCCCCC(CCC)OCC1CO1
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-16(12-4-2)18-14-17-15-19-17/h16-17H,3-15H2,1-2H3
InChIKeyZBTVNQQYARNWBK-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.10
Rot. Bonds14

About 2-(tetradecan-4-yloxymethyl)oxirane

2-(tetradecan-4-yloxymethyl)oxirane (PubChem CID 172858851) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(tetradecan-4-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(tetradecan-4-yloxymethyl)oxirane
PubChem CID172858851
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-(tetradecan-4-yloxymethyl)oxirane
SMILESCCCCCCCCCCC(CCC)OCC1CO1
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-16(12-4-2)18-14-17-15-19-17/h16-17H,3-15H2,1-2H3
InChIKeyZBTVNQQYARNWBK-UHFFFAOYSA-N
XLogP5.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.10
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-(icosan-9-yloxymethyl)oxirane
CID 19926010
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
4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine
CID 151057931
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
2-[5-(triethoxymethyl)tridecan-4-yloxymethyl]oxirane
CID 152656998
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

Frequently Asked Questions

What is the IUPAC name of 2-(tetradecan-4-yloxymethyl)oxirane?
The IUPAC name of 2-(tetradecan-4-yloxymethyl)oxirane (CID 172858851) is 2-(tetradecan-4-yloxymethyl)oxirane.
What is the SMILES notation for 2-(tetradecan-4-yloxymethyl)oxirane?
The canonical SMILES for 2-(tetradecan-4-yloxymethyl)oxirane is CCCCCCCCCCC(CCC)OCC1CO1.
What is the InChIKey of 2-(tetradecan-4-yloxymethyl)oxirane?
The InChIKey is ZBTVNQQYARNWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-16(12-4-2)18-14-17-15-19-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(tetradecan-4-yloxymethyl)oxirane?
2-(tetradecan-4-yloxymethyl)oxirane has a molecular weight of 270.46 g/mol, XLogP of 5.10, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecan-4-yloxymethyl)oxirane is sourced from PubChem (CID 172858851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).