2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane

C17H32O3 — CID 141065543

IUPAC2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
SMILESC(CCCCCCC1CO1)CCCCCOCC1CO1
InChIInChI=1S/C17H32O3/c1(3-5-7-9-11-16-14-19-16)2-4-6-8-10-12-18-13-17-15-20-17/h16-17H,1-15H2
InChIKeyPFHIZNGXYXGPKV-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.09
Rot. Bonds15

About 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane

2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane (PubChem CID 141065543) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane.

Molecular Properties

Compound Name2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
PubChem CID141065543
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
SMILESC(CCCCCCC1CO1)CCCCCOCC1CO1
InChIInChI=1S/C17H32O3/c1(3-5-7-9-11-16-14-19-16)2-4-6-8-10-12-18-13-17-15-20-17/h16-17H,1-15H2
InChIKeyPFHIZNGXYXGPKV-UHFFFAOYSA-N
XLogP4.09
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.09
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

2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
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-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446

Frequently Asked Questions

What is the IUPAC name of 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane?
The IUPAC name of 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane (CID 141065543) is 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane.
What is the SMILES notation for 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane?
The canonical SMILES for 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane is C(CCCCCCC1CO1)CCCCCOCC1CO1.
What is the InChIKey of 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane?
The InChIKey is PFHIZNGXYXGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1(3-5-7-9-11-16-14-19-16)2-4-6-8-10-12-18-13-17-15-20-17/h16-17H,1-15H2.
What are the key properties of 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane?
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane has a molecular weight of 284.44 g/mol, XLogP of 4.09, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane is sourced from PubChem (CID 141065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).