ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate

C20H30O6 — CID 11024955

IUPACethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CCC3C(C)C)[C@H]12
InChIInChI=1S/C20H30O6/c1-6-23-18(21)15-12(5)24-17-16(15)20(26-19(17)22)25-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14,16-17,20H,6-9H2,1-5H3/t11-,13?,14-,16-,17+,20-/m1/s1
InChIKeyHWDBQSQQYZQYLE-HTRMYPNCSA-N
MW366.45 g/mol
LogP3.20
Rot. Bonds5

About ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate

ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate (PubChem CID 11024955) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate
PubChem CID11024955
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Nameethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CCC3C(C)C)[C@H]12
InChIInChI=1S/C20H30O6/c1-6-23-18(21)15-12(5)24-17-16(15)20(26-19(17)22)25-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14,16-17,20H,6-9H2,1-5H3/t11-,13?,14-,16-,17+,20-/m1/s1
InChIKeyHWDBQSQQYZQYLE-HTRMYPNCSA-N
XLogP3.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-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 2-[(2R,3R)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]-2-oxoacetate
CID 15444778
ethyl (2S)-2-cyano-2-[(2R,3S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
CID 102090816
(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 15444780
(3aR,6S,6aS)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 10904303
ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
CID 10502411
1-O-ethyl 5-O-(5-methyl-2-propan-2-ylcyclohexyl) 2,4-diacetyl-3-methylpentanedioate
CID 2750823
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 4049586
(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70609815
(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 11098557
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxan-2-yl]methyl benzoate
CID 10259398

Frequently Asked Questions

What is the IUPAC name of ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate?
The IUPAC name of ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate (CID 11024955) is ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate.
What is the SMILES notation for ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate?
The canonical SMILES for ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate is CCOC(=O)C1=C(C)O[C@@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CCC3C(C)C)[C@H]12.
What is the InChIKey of ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate?
The InChIKey is HWDBQSQQYZQYLE-HTRMYPNCSA-N. The full InChI is InChI=1S/C20H30O6/c1-6-23-18(21)15-12(5)24-17-16(15)20(26-19(17)22)25-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14,16-17,20H,6-9H2,1-5H3/t11-,13?,14-,16-,17+,20-/m1/s1.
What are the key properties of ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate?
ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate has a molecular weight of 366.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3aR,4R,6aS)-2-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate is sourced from PubChem (CID 11024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).