(3-methyl-2H-oxet-2-yl)methanol

C5H8O2 — CID 176897020

IUPAC(3-methyl-2H-oxet-2-yl)methanol
SMILESCC1=COC1CO
InChIInChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h3,5-6H,2H2,1H3
InChIKeyRPQSCZRJUGJLKT-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds1

About (3-methyl-2H-oxet-2-yl)methanol

(3-methyl-2H-oxet-2-yl)methanol (PubChem CID 176897020) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (3-methyl-2H-oxet-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2H-oxet-2-yl)methanol
PubChem CID176897020
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(3-methyl-2H-oxet-2-yl)methanol
SMILESCC1=COC1CO
InChIInChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h3,5-6H,2H2,1H3
InChIKeyRPQSCZRJUGJLKT-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-oxet-2-yl)methanol?
The IUPAC name of (3-methyl-2H-oxet-2-yl)methanol (CID 176897020) is (3-methyl-2H-oxet-2-yl)methanol.
What is the SMILES notation for (3-methyl-2H-oxet-2-yl)methanol?
The canonical SMILES for (3-methyl-2H-oxet-2-yl)methanol is CC1=COC1CO.
What is the InChIKey of (3-methyl-2H-oxet-2-yl)methanol?
The InChIKey is RPQSCZRJUGJLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h3,5-6H,2H2,1H3.
What are the key properties of (3-methyl-2H-oxet-2-yl)methanol?
(3-methyl-2H-oxet-2-yl)methanol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-oxet-2-yl)methanol is sourced from PubChem (CID 176897020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).