3,4-bis(2-methylpentan-2-yloxy)oxolane

C16H32O3 — CID 155451915

IUPAC3,4-bis(2-methylpentan-2-yloxy)oxolane
SMILESCCCC(C)(C)OC1COCC1OC(C)(C)CCC
InChIInChI=1S/C16H32O3/c1-7-9-15(3,4)18-13-11-17-12-14(13)19-16(5,6)10-8-2/h13-14H,7-12H2,1-6H3
InChIKeyNBLNQNJCPJLOMZ-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.94
Rot. Bonds8

About 3,4-bis(2-methylpentan-2-yloxy)oxolane

3,4-bis(2-methylpentan-2-yloxy)oxolane (PubChem CID 155451915) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3,4-bis(2-methylpentan-2-yloxy)oxolane.

Molecular Properties

Compound Name3,4-bis(2-methylpentan-2-yloxy)oxolane
PubChem CID155451915
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name3,4-bis(2-methylpentan-2-yloxy)oxolane
SMILESCCCC(C)(C)OC1COCC1OC(C)(C)CCC
InChIInChI=1S/C16H32O3/c1-7-9-15(3,4)18-13-11-17-12-14(13)19-16(5,6)10-8-2/h13-14H,7-12H2,1-6H3
InChIKeyNBLNQNJCPJLOMZ-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methylpentan-2-yloxy)oxolane?
The IUPAC name of 3,4-bis(2-methylpentan-2-yloxy)oxolane (CID 155451915) is 3,4-bis(2-methylpentan-2-yloxy)oxolane.
What is the SMILES notation for 3,4-bis(2-methylpentan-2-yloxy)oxolane?
The canonical SMILES for 3,4-bis(2-methylpentan-2-yloxy)oxolane is CCCC(C)(C)OC1COCC1OC(C)(C)CCC.
What is the InChIKey of 3,4-bis(2-methylpentan-2-yloxy)oxolane?
The InChIKey is NBLNQNJCPJLOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-7-9-15(3,4)18-13-11-17-12-14(13)19-16(5,6)10-8-2/h13-14H,7-12H2,1-6H3.
What are the key properties of 3,4-bis(2-methylpentan-2-yloxy)oxolane?
3,4-bis(2-methylpentan-2-yloxy)oxolane has a molecular weight of 272.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methylpentan-2-yloxy)oxolane is sourced from PubChem (CID 155451915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).