(5-methyl-1,3-dioxan-5-yl)methanol

C6H12O3 — CID 14278

IUPAC(5-methyl-1,3-dioxan-5-yl)methanol
SMILESCC1(CO)COCOC1
InChIInChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3
InChIKeyXZDDZTGNCUMJHI-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.01
Rot. Bonds1

About (5-methyl-1,3-dioxan-5-yl)methanol

(5-methyl-1,3-dioxan-5-yl)methanol (PubChem CID 14278) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (5-methyl-1,3-dioxan-5-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1,3-dioxan-5-yl)methanol
PubChem CID14278
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(5-methyl-1,3-dioxan-5-yl)methanol
SMILESCC1(CO)COCOC1
InChIInChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3
InChIKeyXZDDZTGNCUMJHI-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-dioxan-5-yl)methanol?
The IUPAC name of (5-methyl-1,3-dioxan-5-yl)methanol (CID 14278) is (5-methyl-1,3-dioxan-5-yl)methanol.
What is the SMILES notation for (5-methyl-1,3-dioxan-5-yl)methanol?
The canonical SMILES for (5-methyl-1,3-dioxan-5-yl)methanol is CC1(CO)COCOC1.
What is the InChIKey of (5-methyl-1,3-dioxan-5-yl)methanol?
The InChIKey is XZDDZTGNCUMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3.
What are the key properties of (5-methyl-1,3-dioxan-5-yl)methanol?
(5-methyl-1,3-dioxan-5-yl)methanol has a molecular weight of 132.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-dioxan-5-yl)methanol is sourced from PubChem (CID 14278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).