2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane

C14H26O2 — CID 126510361

IUPAC2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
SMILESCCC(CCCC1CCC1)COCC1CO1
InChIInChI=1S/C14H26O2/c1-2-12(9-15-10-14-11-16-14)5-3-6-13-7-4-8-13/h12-14H,2-11H2,1H3
InChIKeyKRJVLXKUHUZZIQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.40
Rot. Bonds9

About 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane

2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane (PubChem CID 126510361) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
PubChem CID126510361
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
SMILESCCC(CCCC1CCC1)COCC1CO1
InChIInChI=1S/C14H26O2/c1-2-12(9-15-10-14-11-16-14)5-3-6-13-7-4-8-13/h12-14H,2-11H2,1H3
InChIKeyKRJVLXKUHUZZIQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
2-(9-methylundecoxymethyl)oxirane
CID 167130784
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
CID 174658525
aniline;N,N-dimethylaniline;2-(2-ethyloctoxymethyl)oxirane
CID 160951593
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;bis(oxiran-2-ylmethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;2-(2-ethylhexoxymethyl)oxirane;2-ethyloxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 160732118
2-(3-propylheptoxymethyl)oxirane
CID 169085823
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane?
The IUPAC name of 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane (CID 126510361) is 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane.
What is the SMILES notation for 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane?
The canonical SMILES for 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane is CCC(CCCC1CCC1)COCC1CO1.
What is the InChIKey of 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane?
The InChIKey is KRJVLXKUHUZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-12(9-15-10-14-11-16-14)5-3-6-13-7-4-8-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane?
2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane has a molecular weight of 226.36 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane is sourced from PubChem (CID 126510361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).