[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol

C7H12O5 — CID 130978557

IUPAC[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
SMILESOC[C@H]1OCO[C@@H]2COCO[C@H]12
InChIInChI=1S/C7H12O5/c8-1-5-7-6(11-4-10-5)2-9-3-12-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyYSFJEZDRDFWOKZ-FSDSQADBSA-N
MW176.17 g/mol
LogP-0.91
Rot. Bonds1

About [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol

[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol (PubChem CID 130978557) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol.

Molecular Properties

Compound Name[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
PubChem CID130978557
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
SMILESOC[C@H]1OCO[C@@H]2COCO[C@H]12
InChIInChI=1S/C7H12O5/c8-1-5-7-6(11-4-10-5)2-9-3-12-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyYSFJEZDRDFWOKZ-FSDSQADBSA-N
XLogP-0.91
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol with MolForge

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Related Compounds

[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
CID 163521645
[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 131057194
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
CID 102221162
(4aR,6S,7R,8R,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 126761370
[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol
CID 118513585
(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11147869
[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate
CID 538356
CID 90294374
CID 90294374
7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
CID 102221158
(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
CID 130965097
(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 134866326

Frequently Asked Questions

What is the IUPAC name of [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The IUPAC name of [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol (CID 130978557) is [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol.
What is the SMILES notation for [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The canonical SMILES for [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol is OC[C@H]1OCO[C@@H]2COCO[C@H]12.
What is the InChIKey of [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The InChIKey is YSFJEZDRDFWOKZ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O5/c8-1-5-7-6(11-4-10-5)2-9-3-12-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1.
What are the key properties of [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol has a molecular weight of 176.17 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol is sourced from PubChem (CID 130978557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).