4-methoxy-3-methylbutan-1-ol

C6H14O2 — CID 23597592

IUPAC4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CCO
InChIInChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyICRDMZNNGNTEGQ-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.65
Rot. Bonds4

About 4-methoxy-3-methylbutan-1-ol

4-methoxy-3-methylbutan-1-ol (PubChem CID 23597592) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methylbutan-1-ol
PubChem CID23597592
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CCO
InChIInChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyICRDMZNNGNTEGQ-UHFFFAOYSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 4-methoxy-3-methylbutan-1-ol (CID 23597592) is 4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 4-methoxy-3-methylbutan-1-ol is COCC(C)CCO.
What is the InChIKey of 4-methoxy-3-methylbutan-1-ol?
The InChIKey is ICRDMZNNGNTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-3-methylbutan-1-ol?
4-methoxy-3-methylbutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 23597592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).