2,2-dimethyl-4H-1,3-dioxin-4-ol

C6H10O3 — CID 70466682

IUPAC2,2-dimethyl-4H-1,3-dioxin-4-ol
SMILESCC1(C)OC=CC(O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3-5,7H,1-2H3
InChIKeyIGNCDMZRZVOVSD-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.60
Rot. Bonds

About 2,2-dimethyl-4H-1,3-dioxin-4-ol

2,2-dimethyl-4H-1,3-dioxin-4-ol (PubChem CID 70466682) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2,2-dimethyl-4H-1,3-dioxin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4H-1,3-dioxin-4-ol
PubChem CID70466682
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,2-dimethyl-4H-1,3-dioxin-4-ol
SMILESCC1(C)OC=CC(O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3-5,7H,1-2H3
InChIKeyIGNCDMZRZVOVSD-UHFFFAOYSA-N
XLogP0.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
[(3aR,7aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 166975647
(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
CID 102092361
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 89411642
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
(3aS,4R,7aR)-2,2-dimethyl-7,7-diphenyl-4,7a-dihydro-3aH-1,3-benzodioxol-4-ol
CID 10358761
(3aR,4S,5R,6R,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol
CID 10398539
2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 14332317
(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
CID 11030522
4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
CID 58995084

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-4-ol?
The IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-4-ol (CID 70466682) is 2,2-dimethyl-4H-1,3-dioxin-4-ol.
What is the SMILES notation for 2,2-dimethyl-4H-1,3-dioxin-4-ol?
The canonical SMILES for 2,2-dimethyl-4H-1,3-dioxin-4-ol is CC1(C)OC=CC(O)O1.
What is the InChIKey of 2,2-dimethyl-4H-1,3-dioxin-4-ol?
The InChIKey is IGNCDMZRZVOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3-5,7H,1-2H3.
What are the key properties of 2,2-dimethyl-4H-1,3-dioxin-4-ol?
2,2-dimethyl-4H-1,3-dioxin-4-ol has a molecular weight of 130.14 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4H-1,3-dioxin-4-ol is sourced from PubChem (CID 70466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).