2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane

C17H34O2 — CID 89079349

IUPAC2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
SMILESCCC(CC(C)(C)CC(C)(CC)CC)OCC1CO1
InChIInChI=1S/C17H34O2/c1-7-14(18-11-15-12-19-15)10-16(4,5)13-17(6,8-2)9-3/h14-15H,7-13H2,1-6H3
InChIKeyABQBZMGEUJQFGM-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.81
Rot. Bonds10

About 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane

2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane (PubChem CID 89079349) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
PubChem CID89079349
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
SMILESCCC(CC(C)(C)CC(C)(CC)CC)OCC1CO1
InChIInChI=1S/C17H34O2/c1-7-14(18-11-15-12-19-15)10-16(4,5)13-17(6,8-2)9-3/h14-15H,7-13H2,1-6H3
InChIKeyABQBZMGEUJQFGM-UHFFFAOYSA-N
XLogP4.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.81
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-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
2-[[4-ethyl-5-(oxiran-2-ylmethoxy)-4-[1-(oxiran-2-ylmethoxy)propyl]heptan-3-yl]oxymethyl]oxirane
CID 87949795
2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane
CID 88883203
2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
CID 174820293
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
CID 18963638
CID 18963638
CID 156703018
CID 156703018
2-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160886670
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
CID 57150264
2-[1-(4-propan-2-ylphenoxy)butan-2-yloxymethyl]oxirane
CID 156746922
2-(propan-2-yloxymethyl)oxirane
CID 159998967

Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane (CID 89079349) is 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane is CCC(CC(C)(C)CC(C)(CC)CC)OCC1CO1.
What is the InChIKey of 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane?
The InChIKey is ABQBZMGEUJQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-7-14(18-11-15-12-19-15)10-16(4,5)13-17(6,8-2)9-3/h14-15H,7-13H2,1-6H3.
What are the key properties of 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane?
2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane has a molecular weight of 270.46 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane is sourced from PubChem (CID 89079349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).