1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol

C7H12O3 — CID 141047571

IUPAC1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
SMILESCC(O)C1=COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h4-5,8H,1-3H3
InChIKeyNVLIDESIAFXAET-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.99
Rot. Bonds1

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

1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol (PubChem CID 141047571) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
PubChem CID141047571
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
SMILESCC(O)C1=COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h4-5,8H,1-3H3
InChIKeyNVLIDESIAFXAET-UHFFFAOYSA-N
XLogP0.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
3,4-Dimethoxybut-3-en-2-ol
CID 123610572
1-(1,3-Dioxol-4-yl)propan-1-ol
CID 140112606
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
1-(2,2-Dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol
CID 141027157
(2-Methyl-1,3-dioxol-4-yl)methanol
CID 141070112
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol;hydrate
CID 141082860
(2,4-Dimethyl-1,3-dioxol-2-yl)methanol
CID 141086844
(2,2-Diethyl-1,3-dioxol-4-yl)methanol
CID 141098527
(1R)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
CID 141121981
(2-Methyl-2-propyl-1,3-dioxol-4-yl)methanol
CID 141256681

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol (CID 141047571) is 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol is CC(O)C1=COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The InChIKey is NVLIDESIAFXAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h4-5,8H,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol has a molecular weight of 144.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol is sourced from PubChem (CID 141047571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).