2-(1-tetradecoxyicosyl)oxirane

C36H72O2 — CID 88767792

IUPAC2-(1-tetradecoxyicosyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)C1CO1
InChIInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-35(36-34-38-36)37-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
InChIKeyHVEXPRSTDGWENA-UHFFFAOYSA-N
MW536.97 g/mol
LogP12.51
Rot. Bonds33

About 2-(1-tetradecoxyicosyl)oxirane

2-(1-tetradecoxyicosyl)oxirane (PubChem CID 88767792) has the molecular formula C36H72O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 2-(1-tetradecoxyicosyl)oxirane.

Molecular Properties

Compound Name2-(1-tetradecoxyicosyl)oxirane
PubChem CID88767792
Molecular FormulaC36H72O2
Molecular Weight536.97 g/mol
Exact Mass536.55
IUPAC Name2-(1-tetradecoxyicosyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)C1CO1
InChIInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-35(36-34-38-36)37-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
InChIKeyHVEXPRSTDGWENA-UHFFFAOYSA-N
XLogP12.51
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 512.51
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

(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-[butoxy(oxiran-2-yl)methyl]oxirane
CID 146313335
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
2-(1-fluoroheptyl)oxirane
CID 57127668
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[(E)-1-[(E)-1-(oxiran-2-yl)hexadec-4-enoxy]hexadec-4-enyl]oxirane
CID 135377322
2-[1-[1-(oxiran-2-yl)hexadecylsulfanyloxysulfanyl]hexadecyl]oxirane
CID 139967599

Frequently Asked Questions

What is the IUPAC name of 2-(1-tetradecoxyicosyl)oxirane?
The IUPAC name of 2-(1-tetradecoxyicosyl)oxirane (CID 88767792) is 2-(1-tetradecoxyicosyl)oxirane.
What is the SMILES notation for 2-(1-tetradecoxyicosyl)oxirane?
The canonical SMILES for 2-(1-tetradecoxyicosyl)oxirane is CCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)C1CO1.
What is the InChIKey of 2-(1-tetradecoxyicosyl)oxirane?
The InChIKey is HVEXPRSTDGWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-35(36-34-38-36)37-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3.
What are the key properties of 2-(1-tetradecoxyicosyl)oxirane?
2-(1-tetradecoxyicosyl)oxirane has a molecular weight of 536.97 g/mol, XLogP of 12.51, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tetradecoxyicosyl)oxirane is sourced from PubChem (CID 88767792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).