2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane

C16H30O5 — CID 177262218

IUPAC2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
SMILESC(CCC1CO1)COCCOCCOCCCCC1CO1
InChIInChI=1S/C16H30O5/c1(5-15-13-20-15)3-7-17-9-11-19-12-10-18-8-4-2-6-16-14-21-16/h15-16H,1-14H2
InChIKeyWAUPWDJJTXZITM-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.17
Rot. Bonds16

About 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane

2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane (PubChem CID 177262218) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane.

Molecular Properties

Compound Name2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
PubChem CID177262218
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
SMILESC(CCC1CO1)COCCOCCOCCCCC1CO1
InChIInChI=1S/C16H30O5/c1(5-15-13-20-15)3-7-17-9-11-19-12-10-18-8-4-2-6-16-14-21-16/h15-16H,1-14H2
InChIKeyWAUPWDJJTXZITM-UHFFFAOYSA-N
XLogP2.17
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
2-(4-dodecoxybutyl)oxirane
CID 22900888
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
CID 165009264
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
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-[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
4-(oxiran-2-yl)butyl formate
CID 140743474
CID 168878225
CID 168878225

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane?
The IUPAC name of 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane (CID 177262218) is 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane.
What is the SMILES notation for 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane?
The canonical SMILES for 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane is C(CCC1CO1)COCCOCCOCCCCC1CO1.
What is the InChIKey of 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane?
The InChIKey is WAUPWDJJTXZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1(5-15-13-20-15)3-7-17-9-11-19-12-10-18-8-4-2-6-16-14-21-16/h15-16H,1-14H2.
What are the key properties of 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane?
2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane has a molecular weight of 302.41 g/mol, XLogP of 2.17, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane is sourced from PubChem (CID 177262218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).