(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol

C8H16O4 — CID 146049047

IUPAC(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCOC1(CO)COC(C)(C)OC1
InChIInChI=1S/C8H16O4/c1-7(2)11-5-8(4-9,10-3)6-12-7/h9H,4-6H2,1-3H3
InChIKeyUQULEYCNVVOIRZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.15
Rot. Bonds2

About (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol

(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol (PubChem CID 146049047) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol
PubChem CID146049047
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCOC1(CO)COC(C)(C)OC1
InChIInChI=1S/C8H16O4/c1-7(2)11-5-8(4-9,10-3)6-12-7/h9H,4-6H2,1-3H3
InChIKeyUQULEYCNVVOIRZ-UHFFFAOYSA-N
XLogP0.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The IUPAC name of (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol (CID 146049047) is (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol.
What is the SMILES notation for (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The canonical SMILES for (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol is COC1(CO)COC(C)(C)OC1.
What is the InChIKey of (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The InChIKey is UQULEYCNVVOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2)11-5-8(4-9,10-3)6-12-7/h9H,4-6H2,1-3H3.
What are the key properties of (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol has a molecular weight of 176.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)methanol is sourced from PubChem (CID 146049047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).