(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran

C8H14O2 — CID 163821136

IUPAC(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
SMILESC[C@@H]1COCC2OCC[C@@H]21
InChIInChI=1S/C8H14O2/c1-6-4-9-5-8-7(6)2-3-10-8/h6-8H,2-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyNVMSCBJOCGIIQG-GCJDJSOWSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds

About (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran

(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran (PubChem CID 163821136) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran.

Molecular Properties

Compound Name(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
PubChem CID163821136
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
SMILESC[C@@H]1COCC2OCC[C@@H]21
InChIInChI=1S/C8H14O2/c1-6-4-9-5-8-7(6)2-3-10-8/h6-8H,2-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyNVMSCBJOCGIIQG-GCJDJSOWSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran with MolForge

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Related Compounds

(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181

Frequently Asked Questions

What is the IUPAC name of (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran?
The IUPAC name of (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran (CID 163821136) is (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran.
What is the SMILES notation for (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran?
The canonical SMILES for (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran is C[C@@H]1COCC2OCC[C@@H]21.
What is the InChIKey of (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran?
The InChIKey is NVMSCBJOCGIIQG-GCJDJSOWSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-9-5-8-7(6)2-3-10-8/h6-8H,2-5H2,1H3/t6-,7-,8?/m1/s1.
What are the key properties of (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran?
(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran has a molecular weight of 142.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran is sourced from PubChem (CID 163821136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).