6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

C10H18O2S — CID 69014392

IUPAC6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCOC12CCCC1(CSC)CCO2
InChIInChI=1S/C10H18O2S/c1-11-10-5-3-4-9(10,8-13-2)6-7-12-10/h3-8H2,1-2H3
InChIKeyHHDQTHPECCTLFV-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds3

About 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 69014392) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID69014392
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCOC12CCCC1(CSC)CCO2
InChIInChI=1S/C10H18O2S/c1-11-10-5-3-4-9(10,8-13-2)6-7-12-10/h3-8H2,1-2H3
InChIKeyHHDQTHPECCTLFV-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 69014392) is 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is COC12CCCC1(CSC)CCO2.
What is the InChIKey of 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is HHDQTHPECCTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-11-10-5-3-4-9(10,8-13-2)6-7-12-10/h3-8H2,1-2H3.
What are the key properties of 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 202.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 69014392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).