2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane

C14H28O3 — CID 88883203

IUPAC2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane
SMILESCC(C)(C)CC(COC(C)(C)C)OCC1CO1
InChIInChI=1S/C14H28O3/c1-13(2,3)7-11(10-17-14(4,5)6)15-8-12-9-16-12/h11-12H,7-10H2,1-6H3
InChIKeyHDKGTQRSKAOPTC-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.02
Rot. Bonds6

About 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane

2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane (PubChem CID 88883203) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane
PubChem CID88883203
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane
SMILESCC(C)(C)CC(COC(C)(C)C)OCC1CO1
InChIInChI=1S/C14H28O3/c1-13(2,3)7-11(10-17-14(4,5)6)15-8-12-9-16-12/h11-12H,7-10H2,1-6H3
InChIKeyHDKGTQRSKAOPTC-UHFFFAOYSA-N
XLogP3.02
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
CID 89079349
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
CID 91994198
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
2-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160886670
[4,4-dimethyl-1-(oxiran-2-ylmethoxy)pentyl]-dimethylsilane
CID 173044483
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516

Frequently Asked Questions

What is the IUPAC name of 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane (CID 88883203) is 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane is CC(C)(C)CC(COC(C)(C)C)OCC1CO1.
What is the InChIKey of 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane?
The InChIKey is HDKGTQRSKAOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-13(2,3)7-11(10-17-14(4,5)6)15-8-12-9-16-12/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane?
2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane has a molecular weight of 244.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 88883203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).