2-(4-methylhexan-2-yloxymethyl)oxirane

C10H20O2 — CID 118245906

IUPAC2-(4-methylhexan-2-yloxymethyl)oxirane
SMILESCCC(C)CC(C)OCC1CO1
InChIInChI=1S/C10H20O2/c1-4-8(2)5-9(3)11-6-10-7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyJLKXEXVMMDWTJW-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-methylhexan-2-yloxymethyl)oxirane

2-(4-methylhexan-2-yloxymethyl)oxirane (PubChem CID 118245906) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(4-methylhexan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-methylhexan-2-yloxymethyl)oxirane
PubChem CID118245906
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(4-methylhexan-2-yloxymethyl)oxirane
SMILESCCC(C)CC(C)OCC1CO1
InChIInChI=1S/C10H20O2/c1-4-8(2)5-9(3)11-6-10-7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyJLKXEXVMMDWTJW-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
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

2-Ethylhexyl glycidyl ether
CID 17162
Oxirane, 2-[[(6-methylheptyl)oxy]methyl]-
CID 22571168
Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
((Isopentyloxy)methyl)oxirane
CID 85936
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
((Isononyloxy)methyl)oxirane
CID 120106
2-[(2-Ethyl-1-fluorohexoxy)methyl]oxirane
CID 150169150
2-[(6-Fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane
CID 163584927
2-(2-Propyloctoxymethyl)oxirane
CID 20392833
2-(4,4-Dimethylpentoxymethyl)oxirane
CID 20596258

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylhexan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(4-methylhexan-2-yloxymethyl)oxirane (CID 118245906) is 2-(4-methylhexan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(4-methylhexan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(4-methylhexan-2-yloxymethyl)oxirane is CCC(C)CC(C)OCC1CO1.
What is the InChIKey of 2-(4-methylhexan-2-yloxymethyl)oxirane?
The InChIKey is JLKXEXVMMDWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-8(2)5-9(3)11-6-10-7-12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(4-methylhexan-2-yloxymethyl)oxirane?
2-(4-methylhexan-2-yloxymethyl)oxirane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylhexan-2-yloxymethyl)oxirane is sourced from PubChem (CID 118245906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).