methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate

C10H16O3 — CID 11735560

IUPACmethyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12CCC[C@@H]1O[C@@H](C)C2
InChIInChI=1S/C10H16O3/c1-7-6-10(9(11)12-2)5-3-4-8(10)13-7/h7-8H,3-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyHTDUETRCODHSNL-OYNCUSHFSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds1

About methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate

methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate (PubChem CID 11735560) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
PubChem CID11735560
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12CCC[C@@H]1O[C@@H](C)C2
InChIInChI=1S/C10H16O3/c1-7-6-10(9(11)12-2)5-3-4-8(10)13-7/h7-8H,3-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyHTDUETRCODHSNL-OYNCUSHFSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate 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

ethyl (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11746379
dimethyl (1R,5S)-8-oxabicyclo[3.2.1]octane-6,6-dicarboxylate
CID 135021510
methyl 2-chloro-5-methyl-1,6-dioxaspiro[2.5]octane-2-carboxylate
CID 103354894
methyl 3-cyclohexyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 88822916
[(2R,3aR,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
CID 125456485
[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
CID 125456479
methyl (4aR,8aR)-3-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalene-4a-carboxylate
CID 10609188
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
CID 3519401
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
methyl (1R,6R)-5-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 11768947

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate (CID 11735560) is methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate is COC(=O)[C@@]12CCC[C@@H]1O[C@@H](C)C2.
What is the InChIKey of methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate?
The InChIKey is HTDUETRCODHSNL-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-6-10(9(11)12-2)5-3-4-8(10)13-7/h7-8H,3-6H2,1-2H3/t7-,8-,10+/m0/s1.
What are the key properties of methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate?
methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 11735560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).