(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol

C8H14O5 — CID 129364122

IUPAC(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@@H]2CO[C@@H](O)[C@]2(CO)O1
InChIInChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,8-/m1/s1
InChIKeyYRCUKVHLSFCSAS-ATRFCDNQSA-N
MW190.19 g/mol
LogP-0.78
Rot. Bonds1

About (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol

(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 129364122) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID129364122
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@@H]2CO[C@@H](O)[C@]2(CO)O1
InChIInChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,8-/m1/s1
InChIKeyYRCUKVHLSFCSAS-ATRFCDNQSA-N
XLogP-0.78
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (CID 129364122) is (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@@H]2CO[C@@H](O)[C@]2(CO)O1.
What is the InChIKey of (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is YRCUKVHLSFCSAS-ATRFCDNQSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,8-/m1/s1.
What are the key properties of (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 190.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 129364122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).