2-(3-methylnonan-3-yloxymethyl)oxirane

C13H26O2 — CID 154930049

IUPAC2-(3-methylnonan-3-yloxymethyl)oxirane
SMILESCCCCCCC(C)(CC)OCC1CO1
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-13(3,5-2)15-11-12-10-14-12/h12H,4-11H2,1-3H3
InChIKeyIWGDDWVJZOFFJK-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.54
Rot. Bonds9

About 2-(3-methylnonan-3-yloxymethyl)oxirane

2-(3-methylnonan-3-yloxymethyl)oxirane (PubChem CID 154930049) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-methylnonan-3-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-methylnonan-3-yloxymethyl)oxirane
PubChem CID154930049
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-(3-methylnonan-3-yloxymethyl)oxirane
SMILESCCCCCCC(C)(CC)OCC1CO1
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-13(3,5-2)15-11-12-10-14-12/h12H,4-11H2,1-3H3
InChIKeyIWGDDWVJZOFFJK-UHFFFAOYSA-N
XLogP3.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methylhex-5-en-3-yloxymethyl)oxirane
CID 21263243
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
CID 161498038
3-methoxy-3-methyldodecane
CID 150409844
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane
CID 151802896

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylnonan-3-yloxymethyl)oxirane?
The IUPAC name of 2-(3-methylnonan-3-yloxymethyl)oxirane (CID 154930049) is 2-(3-methylnonan-3-yloxymethyl)oxirane.
What is the SMILES notation for 2-(3-methylnonan-3-yloxymethyl)oxirane?
The canonical SMILES for 2-(3-methylnonan-3-yloxymethyl)oxirane is CCCCCCC(C)(CC)OCC1CO1.
What is the InChIKey of 2-(3-methylnonan-3-yloxymethyl)oxirane?
The InChIKey is IWGDDWVJZOFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-7-8-9-13(3,5-2)15-11-12-10-14-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-(3-methylnonan-3-yloxymethyl)oxirane?
2-(3-methylnonan-3-yloxymethyl)oxirane has a molecular weight of 214.35 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylnonan-3-yloxymethyl)oxirane is sourced from PubChem (CID 154930049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).