(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

C22H26O6 — CID 67230728

IUPAC(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
SMILESCC1(c2ccccc2)OC[C@@H]2OC(C)(c3ccccc3)O[C@H]([C@H](O)CO)[C@@H]2O1
InChIInChI=1S/C22H26O6/c1-21(15-9-5-3-6-10-15)25-14-18-20(28-21)19(17(24)13-23)27-22(2,26-18)16-11-7-4-8-12-16/h3-12,17-20,23-24H,13-14H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1
InChIKeyXFQNJCDLPBXWLC-RLCYQCIGSA-N
MW386.44 g/mol
LogP2.28
Rot. Bonds4

About (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol (PubChem CID 67230728) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
PubChem CID67230728
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
SMILESCC1(c2ccccc2)OC[C@@H]2OC(C)(c3ccccc3)O[C@H]([C@H](O)CO)[C@@H]2O1
InChIInChI=1S/C22H26O6/c1-21(15-9-5-3-6-10-15)25-14-18-20(28-21)19(17(24)13-23)27-22(2,26-18)16-11-7-4-8-12-16/h3-12,17-20,23-24H,13-14H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1
InChIKeyXFQNJCDLPBXWLC-RLCYQCIGSA-N
XLogP2.28
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol (CID 67230728) is (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol is CC1(c2ccccc2)OC[C@@H]2OC(C)(c3ccccc3)O[C@H]([C@H](O)CO)[C@@H]2O1.
What is the InChIKey of (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol?
The InChIKey is XFQNJCDLPBXWLC-RLCYQCIGSA-N. The full InChI is InChI=1S/C22H26O6/c1-21(15-9-5-3-6-10-15)25-14-18-20(28-21)19(17(24)13-23)27-22(2,26-18)16-11-7-4-8-12-16/h3-12,17-20,23-24H,13-14H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1.
What are the key properties of (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol?
(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol has a molecular weight of 386.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 67230728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).