2-[(2-methylpropan-2-yl)oxymethyl]oxolane

C9H18O2 — CID 18618941

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OCC1CCCO1
InChIInChI=1S/C9H18O2/c1-9(2,3)11-7-8-5-4-6-10-8/h8H,4-7H2,1-3H3
InChIKeyDKVHRWSACAQVKF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxymethyl]oxolane

2-[(2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 18618941) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID18618941
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OCC1CCCO1
InChIInChI=1S/C9H18O2/c1-9(2,3)11-7-8-5-4-6-10-8/h8H,4-7H2,1-3H3
InChIKeyDKVHRWSACAQVKF-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]oxolane (CID 18618941) is 2-[(2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]oxolane is CC(C)(C)OCC1CCCO1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is DKVHRWSACAQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2,3)11-7-8-5-4-6-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
2-[(2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 18618941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).