2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane

C20H38O4 — CID 142609718

IUPAC2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
SMILESCC(CCCC(C)COCC1CO1)CCCC(C)COCC1CO1
InChIInChI=1S/C20H38O4/c1-16(6-4-8-17(2)10-21-12-19-14-23-19)7-5-9-18(3)11-22-13-20-15-24-20/h16-20H,4-15H2,1-3H3
InChIKeyJXZNNGOYYGOMGI-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.07
Rot. Bonds16

About 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane

2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane (PubChem CID 142609718) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
PubChem CID142609718
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
SMILESCC(CCCC(C)COCC1CO1)CCCC(C)COCC1CO1
InChIInChI=1S/C20H38O4/c1-16(6-4-8-17(2)10-21-12-19-14-23-19)7-5-9-18(3)11-22-13-20-15-24-20/h16-20H,4-15H2,1-3H3
InChIKeyJXZNNGOYYGOMGI-UHFFFAOYSA-N
XLogP4.07
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane
CID 57060405
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
methoxy-dimethyl-[2-methyl-3-(oxiran-2-ylmethoxy)propyl]silane
CID 87766586
2-(9-methylundecoxymethyl)oxirane
CID 167130784
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
bis(2-methylhexyl) oxiran-2-ylmethyl phosphate
CID 71330005

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane (CID 142609718) is 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane is CC(CCCC(C)COCC1CO1)CCCC(C)COCC1CO1.
What is the InChIKey of 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane?
The InChIKey is JXZNNGOYYGOMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-16(6-4-8-17(2)10-21-12-19-14-23-19)7-5-9-18(3)11-22-13-20-15-24-20/h16-20H,4-15H2,1-3H3.
What are the key properties of 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane?
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane has a molecular weight of 342.52 g/mol, XLogP of 4.07, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane is sourced from PubChem (CID 142609718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).