2-methoxy-2-methylpropan-1-ol

C5H12O2 — CID 11768518

IUPAC2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)CO
InChIInChI=1S/C5H12O2/c1-5(2,4-6)7-3/h6H,4H2,1-3H3
InChIKeyVMPUAIZSESMILD-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.40
Rot. Bonds2

About 2-methoxy-2-methylpropan-1-ol

2-methoxy-2-methylpropan-1-ol (PubChem CID 11768518) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-methylpropan-1-ol
PubChem CID11768518
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)CO
InChIInChI=1S/C5H12O2/c1-5(2,4-6)7-3/h6H,4H2,1-3H3
InChIKeyVMPUAIZSESMILD-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 2-methoxy-2-methylpropan-1-ol (CID 11768518) is 2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 2-methoxy-2-methylpropan-1-ol is COC(C)(C)CO.
What is the InChIKey of 2-methoxy-2-methylpropan-1-ol?
The InChIKey is VMPUAIZSESMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(2,4-6)7-3/h6H,4H2,1-3H3.
What are the key properties of 2-methoxy-2-methylpropan-1-ol?
2-methoxy-2-methylpropan-1-ol has a molecular weight of 104.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 11768518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).