4-methoxy-2-methylpentan-2-ol

C7H16O2 — CID 14387613

IUPAC4-methoxy-2-methylpentan-2-ol
SMILESCOC(C)CC(C)(C)O
InChIInChI=1S/C7H16O2/c1-6(9-4)5-7(2,3)8/h6,8H,5H2,1-4H3
InChIKeyWOGLHVNEIMYZTM-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds3

About 4-methoxy-2-methylpentan-2-ol

4-methoxy-2-methylpentan-2-ol (PubChem CID 14387613) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 4-methoxy-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methylpentan-2-ol
PubChem CID14387613
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name4-methoxy-2-methylpentan-2-ol
SMILESCOC(C)CC(C)(C)O
InChIInChI=1S/C7H16O2/c1-6(9-4)5-7(2,3)8/h6,8H,5H2,1-4H3
InChIKeyWOGLHVNEIMYZTM-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpentan-2-ol?
The IUPAC name of 4-methoxy-2-methylpentan-2-ol (CID 14387613) is 4-methoxy-2-methylpentan-2-ol.
What is the SMILES notation for 4-methoxy-2-methylpentan-2-ol?
The canonical SMILES for 4-methoxy-2-methylpentan-2-ol is COC(C)CC(C)(C)O.
What is the InChIKey of 4-methoxy-2-methylpentan-2-ol?
The InChIKey is WOGLHVNEIMYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(9-4)5-7(2,3)8/h6,8H,5H2,1-4H3.
What are the key properties of 4-methoxy-2-methylpentan-2-ol?
4-methoxy-2-methylpentan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpentan-2-ol is sourced from PubChem (CID 14387613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).