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

C8H16O4 — CID 54203877

IUPAC(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCOC1(C)OCC(C)(CO)CO1
InChIInChI=1S/C8H16O4/c1-7(4-9)5-11-8(2,10-3)12-6-7/h9H,4-6H2,1-3H3
InChIKeyPRDLSMDGPJQSGG-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.35
Rot. Bonds2

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

(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol (PubChem CID 54203877) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
PubChem CID54203877
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCOC1(C)OCC(C)(CO)CO1
InChIInChI=1S/C8H16O4/c1-7(4-9)5-11-8(2,10-3)12-6-7/h9H,4-6H2,1-3H3
InChIKeyPRDLSMDGPJQSGG-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424095
(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
CID 123875514
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
CID 22904249
methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 170710981
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
methyl 3,5-bis(hydroxymethyl)-1,3,5-trimethylcyclohexane-1-carboxylate
CID 138319906
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
(2,2,3-trimethyloxetan-3-yl)methanol
CID 102216721
2-methoxy-2-(methoxymethyl)oxirane
CID 172789195
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2-methoxyoxiran-2-ol
CID 123437916

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol?
The IUPAC name of (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol (CID 54203877) is (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol.
What is the SMILES notation for (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol?
The canonical SMILES for (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol is COC1(C)OCC(C)(CO)CO1.
What is the InChIKey of (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol?
The InChIKey is PRDLSMDGPJQSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(4-9)5-11-8(2,10-3)12-6-7/h9H,4-6H2,1-3H3.
What are the key properties of (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol?
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol has a molecular weight of 176.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol is sourced from PubChem (CID 54203877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).