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

C8H12O4 — CID 14756837

IUPAC(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
SMILESCC1(C)OC2C=C(CO)OC2O1
InChIInChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3
InChIKeyNXTQVJOWUQNCDK-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.37
Rot. Bonds1

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

(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol (PubChem CID 14756837) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
PubChem CID14756837
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
SMILESCC1(C)OC2C=C(CO)OC2O1
InChIInChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3
InChIKeyNXTQVJOWUQNCDK-UHFFFAOYSA-N
XLogP0.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The IUPAC name of (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol (CID 14756837) is (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol is CC1(C)OC2C=C(CO)OC2O1.
What is the InChIKey of (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The InChIKey is NXTQVJOWUQNCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3.
What are the key properties of (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
(2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol has a molecular weight of 172.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol is sourced from PubChem (CID 14756837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).