4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C12H24O3 — CID 59844458

IUPAC4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC1OC(COC(C)(C)C)C(O)C1(C)C
InChIInChI=1S/C12H24O3/c1-8-12(5,6)10(13)9(15-8)7-14-11(2,3)4/h8-10,13H,7H2,1-6H3
InChIKeyLIYSMBMPACSNKL-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds2

About 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 59844458) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID59844458
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC1OC(COC(C)(C)C)C(O)C1(C)C
InChIInChI=1S/C12H24O3/c1-8-12(5,6)10(13)9(15-8)7-14-11(2,3)4/h8-10,13H,7H2,1-6H3
InChIKeyLIYSMBMPACSNKL-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 59844458) is 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is CC1OC(COC(C)(C)C)C(O)C1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is LIYSMBMPACSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-8-12(5,6)10(13)9(15-8)7-14-11(2,3)4/h8-10,13H,7H2,1-6H3.
What are the key properties of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 59844458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).