1-methoxy-2-methylprop-1-en-1-ol

C5H10O2 — CID 10799133

IUPAC1-methoxy-2-methylprop-1-en-1-ol
SMILESCOC(O)=C(C)C
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h6H,1-3H3
InChIKeyODHXKXPEQYLDOF-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.44
Rot. Bonds1

About 1-methoxy-2-methylprop-1-en-1-ol

1-methoxy-2-methylprop-1-en-1-ol (PubChem CID 10799133) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-methoxy-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name1-methoxy-2-methylprop-1-en-1-ol
PubChem CID10799133
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-methoxy-2-methylprop-1-en-1-ol
SMILESCOC(O)=C(C)C
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h6H,1-3H3
InChIKeyODHXKXPEQYLDOF-UHFFFAOYSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylprop-1-en-1-ol?
The IUPAC name of 1-methoxy-2-methylprop-1-en-1-ol (CID 10799133) is 1-methoxy-2-methylprop-1-en-1-ol.
What is the SMILES notation for 1-methoxy-2-methylprop-1-en-1-ol?
The canonical SMILES for 1-methoxy-2-methylprop-1-en-1-ol is COC(O)=C(C)C.
What is the InChIKey of 1-methoxy-2-methylprop-1-en-1-ol?
The InChIKey is ODHXKXPEQYLDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h6H,1-3H3.
What are the key properties of 1-methoxy-2-methylprop-1-en-1-ol?
1-methoxy-2-methylprop-1-en-1-ol has a molecular weight of 102.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylprop-1-en-1-ol is sourced from PubChem (CID 10799133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).