(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol

C13H24O6 — CID 166127175

IUPAC(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol
SMILESCC1OC(C)(C)OC2OC(C)(C)OC2(C)OC1CO
InChIInChI=1S/C13H24O6/c1-8-9(7-14)16-13(6)10(17-11(2,3)15-8)18-12(4,5)19-13/h8-10,14H,7H2,1-6H3
InChIKeyDGJWPAPZZXFVEU-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.36
Rot. Bonds1

About (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol

(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol (PubChem CID 166127175) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol.

Molecular Properties

Compound Name(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol
PubChem CID166127175
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol
SMILESCC1OC(C)(C)OC2OC(C)(C)OC2(C)OC1CO
InChIInChI=1S/C13H24O6/c1-8-9(7-14)16-13(6)10(17-11(2,3)15-8)18-12(4,5)19-13/h8-10,14H,7H2,1-6H3
InChIKeyDGJWPAPZZXFVEU-UHFFFAOYSA-N
XLogP1.36
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol with MolForge

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Related Compounds

[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 10678820
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
(4R,5S)-4-(bromomethyl)-2,2,5-trimethyl-1,3-dioxolane
CID 12741636
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
(2S)-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 131019398
[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol
CID 70827100
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
CID 57379413
[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 143157562
[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11805484
2-hydroxy-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)propanal
CID 130035759

Frequently Asked Questions

What is the IUPAC name of (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol?
The IUPAC name of (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol (CID 166127175) is (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol.
What is the SMILES notation for (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol?
The canonical SMILES for (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol is CC1OC(C)(C)OC2OC(C)(C)OC2(C)OC1CO.
What is the InChIKey of (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol?
The InChIKey is DGJWPAPZZXFVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-8-9(7-14)16-13(6)10(17-11(2,3)15-8)18-12(4,5)19-13/h8-10,14H,7H2,1-6H3.
What are the key properties of (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol?
(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol has a molecular weight of 276.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol is sourced from PubChem (CID 166127175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).