2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane

C20H40O3 — CID 87058991

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H30.C6H10O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1(5-3-8-5)7-2-6-4-9-6/h3-14H2,1-2H3;5-6H,1-4H2
InChIKeyYRZMKOZOZUFMHQ-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.51
Rot. Bonds15

About 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane

2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane (PubChem CID 87058991) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
PubChem CID87058991
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H30.C6H10O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1(5-3-8-5)7-2-6-4-9-6/h3-14H2,1-2H3;5-6H,1-4H2
InChIKeyYRZMKOZOZUFMHQ-UHFFFAOYSA-N
XLogP5.51
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
CID 166063430
CID 166063430
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane (CID 87058991) is 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane is C(OCC1CO1)C1CO1.CCCCCCCCCCCCCC.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane?
The InChIKey is YRZMKOZOZUFMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C6H10O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1(5-3-8-5)7-2-6-4-9-6/h3-14H2,1-2H3;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane?
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane has a molecular weight of 328.54 g/mol, XLogP of 5.51, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane is sourced from PubChem (CID 87058991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).