2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane

C16H26O5 — CID 19349567

IUPAC2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane
SMILESCC(CC1CO1)(CC1CO1)OC(C)(CC1CO1)CC1CO1
InChIInChI=1S/C16H26O5/c1-15(3-11-7-17-11,4-12-8-18-12)21-16(2,5-13-9-19-13)6-14-10-20-14/h11-14H,3-10H2,1-2H3
InChIKeyJOBXSWFEDQSPLS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.68
Rot. Bonds10

About 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane

2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane (PubChem CID 19349567) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane
PubChem CID19349567
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane
SMILESCC(CC1CO1)(CC1CO1)OC(C)(CC1CO1)CC1CO1
InChIInChI=1S/C16H26O5/c1-15(3-11-7-17-11,4-12-8-18-12)21-16(2,5-13-9-19-13)6-14-10-20-14/h11-14H,3-10H2,1-2H3
InChIKeyJOBXSWFEDQSPLS-UHFFFAOYSA-N
XLogP1.68
TPSA59.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane?
The IUPAC name of 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane (CID 19349567) is 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane.
What is the SMILES notation for 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane?
The canonical SMILES for 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane is CC(CC1CO1)(CC1CO1)OC(C)(CC1CO1)CC1CO1.
What is the InChIKey of 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane?
The InChIKey is JOBXSWFEDQSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-15(3-11-7-17-11,4-12-8-18-12)21-16(2,5-13-9-19-13)6-14-10-20-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane?
2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane has a molecular weight of 298.38 g/mol, XLogP of 1.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane is sourced from PubChem (CID 19349567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).