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

C8H14O6 — CID 163521645

IUPAC[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
SMILESOC[C@H]1OCO[C@H]2C1OCO[C@@H]2CO
InChIInChI=1S/C8H14O6/c9-1-5-7-8(14-3-11-5)6(2-10)12-4-13-7/h5-10H,1-4H2/t5-,6-,7-,8?/m1/s1
InChIKeyDLIMVTKZIGEWCB-XDTPYFJJSA-N
MW206.19 g/mol
LogP-1.55
Rot. Bonds2

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

[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol (PubChem CID 163521645) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol.

Molecular Properties

Compound Name[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
PubChem CID163521645
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
SMILESOC[C@H]1OCO[C@H]2C1OCO[C@@H]2CO
InChIInChI=1S/C8H14O6/c9-1-5-7-8(14-3-11-5)6(2-10)12-4-13-7/h5-10H,1-4H2/t5-,6-,7-,8?/m1/s1
InChIKeyDLIMVTKZIGEWCB-XDTPYFJJSA-N
XLogP-1.55
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 58960567
(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11147869
(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
CID 130965097
(5-but-2-ynyl-1,3-dioxolan-4-yl)methanol
CID 130150820
[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 131057194
(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 129155573
(4R,5R)-4,5-bis(chloromethyl)-1,3-dioxolane
CID 130950632
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741
(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 134866326
(4R,4aR,8S,8aR)-8-(methoxymethyl)-4-(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 129160825
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394

Frequently Asked Questions

What is the IUPAC name of [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol?
The IUPAC name of [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol (CID 163521645) is [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol.
What is the SMILES notation for [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol?
The canonical SMILES for [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol is OC[C@H]1OCO[C@H]2C1OCO[C@@H]2CO.
What is the InChIKey of [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol?
The InChIKey is DLIMVTKZIGEWCB-XDTPYFJJSA-N. The full InChI is InChI=1S/C8H14O6/c9-1-5-7-8(14-3-11-5)6(2-10)12-4-13-7/h5-10H,1-4H2/t5-,6-,7-,8?/m1/s1.
What are the key properties of [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol?
[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol has a molecular weight of 206.19 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol is sourced from PubChem (CID 163521645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).