1-methoxy-2-methylbutan-2-ol

C6H14O2 — CID 20571541

IUPAC1-methoxy-2-methylbutan-2-ol
SMILESCCC(C)(O)COC
InChIInChI=1S/C6H14O2/c1-4-6(2,7)5-8-3/h7H,4-5H2,1-3H3
InChIKeyDNZJBKSXLSDWCX-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds3

About 1-methoxy-2-methylbutan-2-ol

1-methoxy-2-methylbutan-2-ol (PubChem CID 20571541) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methylbutan-2-ol
PubChem CID20571541
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1-methoxy-2-methylbutan-2-ol
SMILESCCC(C)(O)COC
InChIInChI=1S/C6H14O2/c1-4-6(2,7)5-8-3/h7H,4-5H2,1-3H3
InChIKeyDNZJBKSXLSDWCX-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-methoxy-2-methylbutan-2-ol (CID 20571541) is 1-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-methoxy-2-methylbutan-2-ol is CCC(C)(O)COC.
What is the InChIKey of 1-methoxy-2-methylbutan-2-ol?
The InChIKey is DNZJBKSXLSDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-6(2,7)5-8-3/h7H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2-methylbutan-2-ol?
1-methoxy-2-methylbutan-2-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 20571541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).