2,2-dimethyl-4H-1,3-dioxin-5-ol

C6H10O3 — CID 71353458

IUPAC2,2-dimethyl-4H-1,3-dioxin-5-ol
SMILESCC1(C)OC=C(O)CO1
InChIInChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3,7H,4H2,1-2H3
InChIKeyQQEXLDZYFMTWHX-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.17
Rot. Bonds

About 2,2-dimethyl-4H-1,3-dioxin-5-ol

2,2-dimethyl-4H-1,3-dioxin-5-ol (PubChem CID 71353458) 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-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-4H-1,3-dioxin-5-ol
PubChem CID71353458
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,2-dimethyl-4H-1,3-dioxin-5-ol
SMILESCC1(C)OC=C(O)CO1
InChIInChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3,7H,4H2,1-2H3
InChIKeyQQEXLDZYFMTWHX-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-4-methylidene-1,3-dioxolan-2-yl)methanol
CID 15477273
(Z)-3,3-diethoxyprop-1-ene-1,2-diol
CID 20277925
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
1,1,2,3-Tetraethoxyprop-2-en-1-ol
CID 54270540
(2,2-Dimethyl-1,3-dioxolan-4-ylidene)methanol
CID 66709856
4H-1,3-dioxin-5-ol
CID 70384642
2,2-dimethyl-4H-1,3-dioxin-6-ol
CID 70466683
3,3-Diethoxyprop-1-ene-1,2-diol
CID 73674283
1,3,3-Trimethoxyprop-1-en-2-ol
CID 85058882
(Z)-1,1,2,3-tetraethoxyprop-2-en-1-ol
CID 88155151
(E)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol
CID 89688934
(2-methoxy-4H-1,3-dioxin-2-yl)methanol
CID 90769668

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-5-ol?
The IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-5-ol (CID 71353458) is 2,2-dimethyl-4H-1,3-dioxin-5-ol.
What is the SMILES notation for 2,2-dimethyl-4H-1,3-dioxin-5-ol?
The canonical SMILES for 2,2-dimethyl-4H-1,3-dioxin-5-ol is CC1(C)OC=C(O)CO1.
What is the InChIKey of 2,2-dimethyl-4H-1,3-dioxin-5-ol?
The InChIKey is QQEXLDZYFMTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3,7H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4H-1,3-dioxin-5-ol?
2,2-dimethyl-4H-1,3-dioxin-5-ol has a molecular weight of 130.14 g/mol, XLogP of 1.17, 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-5-ol is sourced from PubChem (CID 71353458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).