2-methyl-1,3-dioxan-5-ol

C5H10O3 — CID 13062687

IUPAC2-methyl-1,3-dioxan-5-ol
SMILESCC1OCC(O)CO1
InChIInChI=1S/C5H10O3/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3
InChIKeyRLVMGTURHNLOJX-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.26
Rot. Bonds

About 2-methyl-1,3-dioxan-5-ol

2-methyl-1,3-dioxan-5-ol (PubChem CID 13062687) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-methyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-methyl-1,3-dioxan-5-ol
PubChem CID13062687
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-methyl-1,3-dioxan-5-ol
SMILESCC1OCC(O)CO1
InChIInChI=1S/C5H10O3/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3
InChIKeyRLVMGTURHNLOJX-UHFFFAOYSA-N
XLogP-0.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxan-5-ol?
The IUPAC name of 2-methyl-1,3-dioxan-5-ol (CID 13062687) is 2-methyl-1,3-dioxan-5-ol.
What is the SMILES notation for 2-methyl-1,3-dioxan-5-ol?
The canonical SMILES for 2-methyl-1,3-dioxan-5-ol is CC1OCC(O)CO1.
What is the InChIKey of 2-methyl-1,3-dioxan-5-ol?
The InChIKey is RLVMGTURHNLOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-dioxan-5-ol?
2-methyl-1,3-dioxan-5-ol has a molecular weight of 118.13 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxan-5-ol is sourced from PubChem (CID 13062687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).