2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane

C14H26O4 — CID 87149514

IUPAC2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
SMILESCC(C)C(OCC1CO1)C(C)(C)COCC1CO1
InChIInChI=1S/C14H26O4/c1-10(2)13(18-8-12-7-17-12)14(3,4)9-15-5-11-6-16-11/h10-13H,5-9H2,1-4H3
InChIKeyYTPAHZBFABJFFY-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.87
Rot. Bonds9

About 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane

2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane (PubChem CID 87149514) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
PubChem CID87149514
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
SMILESCC(C)C(OCC1CO1)C(C)(C)COCC1CO1
InChIInChI=1S/C14H26O4/c1-10(2)13(18-8-12-7-17-12)14(3,4)9-15-5-11-6-16-11/h10-13H,5-9H2,1-4H3
InChIKeyYTPAHZBFABJFFY-UHFFFAOYSA-N
XLogP1.87
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
CID 57150264
2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
CID 118461097
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane (CID 87149514) is 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane is CC(C)C(OCC1CO1)C(C)(C)COCC1CO1.
What is the InChIKey of 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane?
The InChIKey is YTPAHZBFABJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(2)13(18-8-12-7-17-12)14(3,4)9-15-5-11-6-16-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane?
2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane has a molecular weight of 258.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane is sourced from PubChem (CID 87149514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).