2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane

C14H26O4 — CID 87215006

IUPAC2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
SMILESCCCCCC(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-12(6-15-8-13-10-17-13)7-16-9-14-11-18-14/h12-14H,2-11H2,1H3
InChIKeyCKGUFJPYYKFHOW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.01
Rot. Bonds12

About 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane

2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane (PubChem CID 87215006) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
PubChem CID87215006
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
SMILESCCCCCC(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-12(6-15-8-13-10-17-13)7-16-9-14-11-18-14/h12-14H,2-11H2,1H3
InChIKeyCKGUFJPYYKFHOW-UHFFFAOYSA-N
XLogP2.01
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
carbon dioxide;4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one;2-(2-propylheptoxymethyl)oxirane
CID 158637776
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-(3-propylheptoxymethyl)oxirane
CID 169085823
2-(pentoxymethyl)oxirane
CID 160890113
cyclohexene;hexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174899382
2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
CID 126510361
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane (CID 87215006) is 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane is CCCCCC(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane?
The InChIKey is CKGUFJPYYKFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-12(6-15-8-13-10-17-13)7-16-9-14-11-18-14/h12-14H,2-11H2,1H3.
What are the key properties of 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane?
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane has a molecular weight of 258.36 g/mol, XLogP of 2.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane is sourced from PubChem (CID 87215006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).