2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol

C9H14O4 — CID 14804892

IUPAC2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol
SMILESCC1(C)OC2C=C(CCO)OC2O1
InChIInChI=1S/C9H14O4/c1-9(2)12-7-5-6(3-4-10)11-8(7)13-9/h5,7-8,10H,3-4H2,1-2H3
InChIKeyOSWFFFINBGRZML-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.76
Rot. Bonds2

About 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol

2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol (PubChem CID 14804892) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol
PubChem CID14804892
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol
SMILESCC1(C)OC2C=C(CCO)OC2O1
InChIInChI=1S/C9H14O4/c1-9(2)12-7-5-6(3-4-10)11-8(7)13-9/h5,7-8,10H,3-4H2,1-2H3
InChIKeyOSWFFFINBGRZML-UHFFFAOYSA-N
XLogP0.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol with MolForge

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Related Compounds

CID 11053817
CID 11053817
2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran
CID 20348360
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 11230242
Ethyl-4,6a-dihydro-3ah-cyclopenta[1,3]dioxol-4-ol
CID 129888001
(3aR,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 134856426
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102887
Wocmgmmzcjvmdh-uhfffaoysa-
CID 13990826
(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
CID 131037879
(2,2-Dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
CID 14756837
[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 14756838
(3aS)-5-ethyl-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 58834044
1-O,2-O:5-O,6-O-Diisopropylidene-3-deoxy-alpha-D-erythro-3-hexenofuranose
CID 59107774

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol (CID 14804892) is 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol is CC1(C)OC2C=C(CCO)OC2O1.
What is the InChIKey of 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol?
The InChIKey is OSWFFFINBGRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)12-7-5-6(3-4-10)11-8(7)13-9/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol?
2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol has a molecular weight of 186.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol is sourced from PubChem (CID 14804892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).