2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane

C16H30O3 — CID 123338151

IUPAC2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane
SMILESC=C(C)C1OC1OC(C)(CC)CCOC(C)(C)CC
InChIInChI=1S/C16H30O3/c1-8-15(5,6)17-11-10-16(7,9-2)19-14-13(18-14)12(3)4/h13-14H,3,8-11H2,1-2,4-7H3
InChIKeyFBMXBLJNGUJTBU-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.07
Rot. Bonds9

About 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane

2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane (PubChem CID 123338151) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane.

Molecular Properties

Compound Name2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane
PubChem CID123338151
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane
SMILESC=C(C)C1OC1OC(C)(CC)CCOC(C)(C)CC
InChIInChI=1S/C16H30O3/c1-8-15(5,6)17-11-10-16(7,9-2)19-14-13(18-14)12(3)4/h13-14H,3,8-11H2,1-2,4-7H3
InChIKeyFBMXBLJNGUJTBU-UHFFFAOYSA-N
XLogP4.07
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane?
The IUPAC name of 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane (CID 123338151) is 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane.
What is the SMILES notation for 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane?
The canonical SMILES for 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane is C=C(C)C1OC1OC(C)(CC)CCOC(C)(C)CC.
What is the InChIKey of 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane?
The InChIKey is FBMXBLJNGUJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-15(5,6)17-11-10-16(7,9-2)19-14-13(18-14)12(3)4/h13-14H,3,8-11H2,1-2,4-7H3.
What are the key properties of 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane?
2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane has a molecular weight of 270.41 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane is sourced from PubChem (CID 123338151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).