(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol

C10H18O4 — CID 139076165

IUPAC(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@@]2(C)CO[C@@H]1O
InChIInChI=1S/C10H18O4/c1-6-7-10(4,5-12-8(6)11)14-9(2,3)13-7/h6-8,11H,5H2,1-4H3/t6-,7+,8-,10-/m0/s1
InChIKeyQQTDXBQRNRMECI-ODHVRURNSA-N
MW202.25 g/mol
LogP0.88
Rot. Bonds

About (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol

(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol (PubChem CID 139076165) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol.

Molecular Properties

Compound Name(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol
PubChem CID139076165
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@@]2(C)CO[C@@H]1O
InChIInChI=1S/C10H18O4/c1-6-7-10(4,5-12-8(6)11)14-9(2,3)13-7/h6-8,11H,5H2,1-4H3/t6-,7+,8-,10-/m0/s1
InChIKeyQQTDXBQRNRMECI-ODHVRURNSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol with MolForge

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Related Compounds

[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 143157562
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571
(7S)-1,4,4,7,9-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 144570221
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(4S,5S)-4-hydroxy-5-[(4R,5S)-5-hydroxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70543387
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406942
[(1R,2R,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406943
(3aS,6R,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 11095402
(4S,5S)-4-hydroxy-5-[(4R,5S)-5-hydroxy-2-(tribromomethyl)-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70543048

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol?
The IUPAC name of (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol (CID 139076165) is (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol.
What is the SMILES notation for (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol?
The canonical SMILES for (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol is C[C@H]1[C@H]2OC(C)(C)O[C@@]2(C)CO[C@@H]1O.
What is the InChIKey of (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol?
The InChIKey is QQTDXBQRNRMECI-ODHVRURNSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-7-10(4,5-12-8(6)11)14-9(2,3)13-7/h6-8,11H,5H2,1-4H3/t6-,7+,8-,10-/m0/s1.
What are the key properties of (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol?
(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol has a molecular weight of 202.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol is sourced from PubChem (CID 139076165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).