4-methyloxan-2-ol

C6H12O2 — CID 11469063

IUPAC4-methyloxan-2-ol
SMILESCC1CCOC(O)C1
InChIInChI=1S/C6H12O2/c1-5-2-3-8-6(7)4-5/h5-7H,2-4H2,1H3
InChIKeySMFZAIRMNYPZLI-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds

About 4-methyloxan-2-ol

4-methyloxan-2-ol (PubChem CID 11469063) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 4-methyloxan-2-ol.

Molecular Properties

Compound Name4-methyloxan-2-ol
PubChem CID11469063
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name4-methyloxan-2-ol
SMILESCC1CCOC(O)C1
InChIInChI=1S/C6H12O2/c1-5-2-3-8-6(7)4-5/h5-7H,2-4H2,1H3
InChIKeySMFZAIRMNYPZLI-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyloxan-2-ol?
The IUPAC name of 4-methyloxan-2-ol (CID 11469063) is 4-methyloxan-2-ol.
What is the SMILES notation for 4-methyloxan-2-ol?
The canonical SMILES for 4-methyloxan-2-ol is CC1CCOC(O)C1.
What is the InChIKey of 4-methyloxan-2-ol?
The InChIKey is SMFZAIRMNYPZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-2-3-8-6(7)4-5/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyloxan-2-ol?
4-methyloxan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxan-2-ol is sourced from PubChem (CID 11469063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).