2,2-bis(propan-2-yloxymethyl)oxolane

C12H24O3 — CID 141321530

IUPAC2,2-bis(propan-2-yloxymethyl)oxolane
SMILESCC(C)OCC1(COC(C)C)CCCO1
InChIInChI=1S/C12H24O3/c1-10(2)13-8-12(6-5-7-15-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNTTBLXNHHMHMIW-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.39
Rot. Bonds6

About 2,2-bis(propan-2-yloxymethyl)oxolane

2,2-bis(propan-2-yloxymethyl)oxolane (PubChem CID 141321530) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-bis(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name2,2-bis(propan-2-yloxymethyl)oxolane
PubChem CID141321530
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,2-bis(propan-2-yloxymethyl)oxolane
SMILESCC(C)OCC1(COC(C)C)CCCO1
InChIInChI=1S/C12H24O3/c1-10(2)13-8-12(6-5-7-15-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNTTBLXNHHMHMIW-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(propan-2-yloxymethyl)oxolane?
The IUPAC name of 2,2-bis(propan-2-yloxymethyl)oxolane (CID 141321530) is 2,2-bis(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for 2,2-bis(propan-2-yloxymethyl)oxolane?
The canonical SMILES for 2,2-bis(propan-2-yloxymethyl)oxolane is CC(C)OCC1(COC(C)C)CCCO1.
What is the InChIKey of 2,2-bis(propan-2-yloxymethyl)oxolane?
The InChIKey is NTTBLXNHHMHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(2)13-8-12(6-5-7-15-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-bis(propan-2-yloxymethyl)oxolane?
2,2-bis(propan-2-yloxymethyl)oxolane has a molecular weight of 216.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 141321530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).