1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol

C7H12O4 — CID 141027157

IUPAC1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol
SMILESCC1(C)OC=C(C(O)CO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-4-6(11-7)5(9)3-8/h4-5,8-9H,3H2,1-2H3
InChIKeyQDHJPTFUZGWMDB-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.04
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol

1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol (PubChem CID 141027157) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol
PubChem CID141027157
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol
SMILESCC1(C)OC=C(C(O)CO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-4-6(11-7)5(9)3-8/h4-5,8-9H,3H2,1-2H3
InChIKeyQDHJPTFUZGWMDB-UHFFFAOYSA-N
XLogP-0.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyltetrahydroxyfuran
CID 69539732
(2R,3S)-2-(methoxymethoxymethyl)-2,3-dihydrofuran-3-ol
CID 13149086
4-Methoxy-2,3-dihydrofuran-2,3-diol
CID 19689111
(3R)-2,3-dihydrofuran-3,4,5-triol
CID 20614162
1-(1,3-Dioxol-4-yl)ethane-1,2-diol
CID 57270061
(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol
CID 66828696
(2R,3S)-2-(hydroxymethyl)-5-methoxy-2,3-dihydrofuran-3,4-diol
CID 67684681
(2,2-Dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
CID 121296933
1-(1,3-Dioxol-4-yl)propan-1-ol
CID 140112606
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
2-[2-(Hydroxymethyl)-1,3-dioxol-4-yl]-1-methoxyethanol
CID 141030279
1-(2,2-Dimethyl-1,3-dioxol-4-yl)ethanol
CID 141047571

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol (CID 141027157) is 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol is CC1(C)OC=C(C(O)CO)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol?
The InChIKey is QDHJPTFUZGWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(2)10-4-6(11-7)5(9)3-8/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol?
1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol has a molecular weight of 160.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol is sourced from PubChem (CID 141027157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).