(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

C8H14O4 — CID 138983814

IUPAC(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1C[C@H]2OCO[C@@H]2C(C)O1
InChIInChI=1S/C8H14O4/c1-5-8-6(10-4-11-8)3-7(9-2)12-5/h5-8H,3-4H2,1-2H3/t5?,6-,7+,8-/m1/s1
InChIKeyUPMBCZBZRRLVJX-KTUCCBJNSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds1

About (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 138983814) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID138983814
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1C[C@H]2OCO[C@@H]2C(C)O1
InChIInChI=1S/C8H14O4/c1-5-8-6(10-4-11-8)3-7(9-2)12-5/h5-8H,3-4H2,1-2H3/t5?,6-,7+,8-/m1/s1
InChIKeyUPMBCZBZRRLVJX-KTUCCBJNSA-N
XLogP0.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran with MolForge

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Related Compounds

(1R,2R,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 12817977
(1R,2S,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 131885979
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 93496295
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(4R,4'R,5'S,5aR,8S,9aR)-8-methoxy-6-methyl-4',5'-bis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[6,8,9,9a-tetrahydro-5aH-pyrano[3,4-f][1,3,5]trioxepine-4,2'-oxane]
CID 138981391
(2S,3S,4R,5S,6R)-4-methoxy-2-methyl-6-[[(1S,2S,4R,6R)-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxane-3,5-diol
CID 162905510
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 144658267

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 138983814) is (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is CO[C@@H]1C[C@H]2OCO[C@@H]2C(C)O1.
What is the InChIKey of (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is UPMBCZBZRRLVJX-KTUCCBJNSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-8-6(10-4-11-8)3-7(9-2)12-5/h5-8H,3-4H2,1-2H3/t5?,6-,7+,8-/m1/s1.
What are the key properties of (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 174.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 138983814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).