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

C9H14O5 — CID 70904493

IUPAC1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
SMILESCC1(C)OC2C=C(C(O)CO)OC2O1
InChIInChI=1S/C9H14O5/c1-9(2)13-7-3-6(5(11)4-10)12-8(7)14-9/h3,5,7-8,10-11H,4H2,1-2H3
InChIKeyGJSAGQYZMJHYBV-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.27
Rot. Bonds2

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

1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol (PubChem CID 70904493) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
PubChem CID70904493
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
SMILESCC1(C)OC2C=C(C(O)CO)OC2O1
InChIInChI=1S/C9H14O5/c1-9(2)13-7-3-6(5(11)4-10)12-8(7)14-9/h3,5,7-8,10-11H,4H2,1-2H3
InChIKeyGJSAGQYZMJHYBV-UHFFFAOYSA-N
XLogP-0.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol
CID 25271553
(3aS,4R,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10953760
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
2-(2,2-Dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol
CID 14804892
(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
CID 131037879
(3aS,4S,6aR)-2,2-Dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-ol
CID 10909808

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol (CID 70904493) is 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol is CC1(C)OC2C=C(C(O)CO)OC2O1.
What is the InChIKey of 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol?
The InChIKey is GJSAGQYZMJHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-9(2)13-7-3-6(5(11)4-10)12-8(7)14-9/h3,5,7-8,10-11H,4H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol?
1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol has a molecular weight of 202.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 70904493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).