3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

C8H14O2 — CID 12794840

IUPAC3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESCC1COC2OCCCC12
InChIInChI=1S/C8H14O2/c1-6-5-10-8-7(6)3-2-4-9-8/h6-8H,2-5H2,1H3
InChIKeyLBAYIVBFYVVULM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds

About 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (PubChem CID 12794840) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.

Molecular Properties

Compound Name3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
PubChem CID12794840
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESCC1COC2OCCCC12
InChIInChI=1S/C8H14O2/c1-6-5-10-8-7(6)3-2-4-9-8/h6-8H,2-5H2,1H3
InChIKeyLBAYIVBFYVVULM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
(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
(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
CID 130240779
(2S,3R)-2,3-dimethyloxane
CID 121479351
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
CID 67031672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The IUPAC name of 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (CID 12794840) is 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.
What is the SMILES notation for 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The canonical SMILES for 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is CC1COC2OCCCC12.
What is the InChIKey of 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The InChIKey is LBAYIVBFYVVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-5-10-8-7(6)3-2-4-9-8/h6-8H,2-5H2,1H3.
What are the key properties of 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran has a molecular weight of 142.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is sourced from PubChem (CID 12794840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).