2-[3-(2-methylbutoxy)propoxymethyl]oxirane

C11H22O3 — CID 167130751

IUPAC2-[3-(2-methylbutoxy)propoxymethyl]oxirane
SMILESCCC(C)COCCCOCC1CO1
InChIInChI=1S/C11H22O3/c1-3-10(2)7-12-5-4-6-13-8-11-9-14-11/h10-11H,3-9H2,1-2H3
InChIKeyKHDBMXDGUXKYCY-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.85
Rot. Bonds9

About 2-[3-(2-methylbutoxy)propoxymethyl]oxirane

2-[3-(2-methylbutoxy)propoxymethyl]oxirane (PubChem CID 167130751) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[3-(2-methylbutoxy)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(2-methylbutoxy)propoxymethyl]oxirane
PubChem CID167130751
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[3-(2-methylbutoxy)propoxymethyl]oxirane
SMILESCCC(C)COCCCOCC1CO1
InChIInChI=1S/C11H22O3/c1-3-10(2)7-12-5-4-6-13-8-11-9-14-11/h10-11H,3-9H2,1-2H3
InChIKeyKHDBMXDGUXKYCY-UHFFFAOYSA-N
XLogP1.85
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.85
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-(9-methylundecoxymethyl)oxirane
CID 167130784
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
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
3-(oxiran-2-ylmethoxy)propyl 2-methylbutanoate
CID 164730265
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
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-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
CID 146626109

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylbutoxy)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(2-methylbutoxy)propoxymethyl]oxirane (CID 167130751) is 2-[3-(2-methylbutoxy)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(2-methylbutoxy)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(2-methylbutoxy)propoxymethyl]oxirane is CCC(C)COCCCOCC1CO1.
What is the InChIKey of 2-[3-(2-methylbutoxy)propoxymethyl]oxirane?
The InChIKey is KHDBMXDGUXKYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-10(2)7-12-5-4-6-13-8-11-9-14-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[3-(2-methylbutoxy)propoxymethyl]oxirane?
2-[3-(2-methylbutoxy)propoxymethyl]oxirane has a molecular weight of 202.29 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylbutoxy)propoxymethyl]oxirane is sourced from PubChem (CID 167130751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).