3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan

C10H18O3 — CID 148553719

IUPAC3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCOC1OC(C)C2CCCC12OC
InChIInChI=1S/C10H18O3/c1-7-8-5-4-6-10(8,12-3)9(11-2)13-7/h7-9H,4-6H2,1-3H3
InChIKeyMTQPWSHLZWQOEK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.56
Rot. Bonds2

About 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan

3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan (PubChem CID 148553719) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan.

Molecular Properties

Compound Name3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
PubChem CID148553719
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCOC1OC(C)C2CCCC12OC
InChIInChI=1S/C10H18O3/c1-7-8-5-4-6-10(8,12-3)9(11-2)13-7/h7-9H,4-6H2,1-3H3
InChIKeyMTQPWSHLZWQOEK-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
8,8-dimethoxy-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydro-1H-phenanthrene
CID 176883882
5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
CID 121443852
2-methoxy-2-(2-methylcyclohexyl)oxirane
CID 147104462
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19105347
(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
CID 131133904
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
CID 90128314
3,7-dimethoxy-3-methyldioxepane
CID 12679478
(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol
CID 139053854
(2S,3S,7R)-3-bromo-2-methoxy-3-methyl-7-phenyloxepane
CID 101258913

Frequently Asked Questions

What is the IUPAC name of 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan?
The IUPAC name of 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan (CID 148553719) is 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan.
What is the SMILES notation for 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan?
The canonical SMILES for 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan is COC1OC(C)C2CCCC12OC.
What is the InChIKey of 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan?
The InChIKey is MTQPWSHLZWQOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-8-5-4-6-10(8,12-3)9(11-2)13-7/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan?
3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan has a molecular weight of 186.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dimethoxy-1-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan is sourced from PubChem (CID 148553719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).