(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane

C21H40O5 — CID 163762058

IUPAC(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane
SMILESCOC1C[C@@H]2[C@H](O1)[C@H](C)C[C@H]2C.COC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C.[2H]CC
InChIInChI=1S/C10H18O2.C9H16O3.C2H6/c1-6-4-7(2)10-8(6)5-9(11-3)12-10;1-5-3-7(10)9-6(5)4-8(11-2)12-9;1-2/h6-10H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3;1-2H3/t6-,7-,8+,9?,10-;5-,6+,7-,8?,9+;/m11./s1/i;;1D
InChIKeyLZAAIFMTDJMDCH-WIUGHITCSA-N
MW373.55 g/mol
LogP3.83
Rot. Bonds2

About (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane

(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane (PubChem CID 163762058) has the molecular formula C21H40O5 and a molecular weight of 373.55 g/mol. Its IUPAC name is (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane.

Molecular Properties

Compound Name(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane
PubChem CID163762058
Molecular FormulaC21H40O5
Molecular Weight373.55 g/mol
Exact Mass373.29
IUPAC Name(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane
SMILESCOC1C[C@@H]2[C@H](O1)[C@H](C)C[C@H]2C.COC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C.[2H]CC
InChIInChI=1S/C10H18O2.C9H16O3.C2H6/c1-6-4-7(2)10-8(6)5-9(11-3)12-10;1-5-3-7(10)9-6(5)4-8(11-2)12-9;1-2/h6-10H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3;1-2H3/t6-,7-,8+,9?,10-;5-,6+,7-,8?,9+;/m11./s1/i;;1D
InChIKeyLZAAIFMTDJMDCH-WIUGHITCSA-N
XLogP3.83
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane 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

(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 158856895
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R,3aR,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4,5-diol
CID 10511417
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(1R,2R,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 12817977
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
CID 21158721
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane?
The IUPAC name of (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane (CID 163762058) is (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane.
What is the SMILES notation for (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane?
The canonical SMILES for (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane is COC1C[C@@H]2[C@H](O1)[C@H](C)C[C@H]2C.COC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C.[2H]CC.
What is the InChIKey of (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane?
The InChIKey is LZAAIFMTDJMDCH-WIUGHITCSA-N. The full InChI is InChI=1S/C10H18O2.C9H16O3.C2H6/c1-6-4-7(2)10-8(6)5-9(11-3)12-10;1-5-3-7(10)9-6(5)4-8(11-2)12-9;1-2/h6-10H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3;1-2H3/t6-,7-,8+,9?,10-;5-,6+,7-,8?,9+;/m11./s1/i;;1D.
What are the key properties of (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane?
(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane has a molecular weight of 373.55 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane is sourced from PubChem (CID 163762058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).