(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C20H30O3 — CID 155929225

IUPAC(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESC=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1CO[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C20H30O3/c1-12(14-11-22-18-13(14)10-17(21)23-18)15-6-7-16-19(2,3)8-5-9-20(15,16)4/h13-16,18H,1,5-11H2,2-4H3/t13-,14+,15-,16+,18-,20-/m1/s1
InChIKeyBXUMWQSFSBJMMW-AZFQSKGHSA-N
MW318.46 g/mol
LogP4.32
Rot. Bonds2

About (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 155929225) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID155929225
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESC=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1CO[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C20H30O3/c1-12(14-11-22-18-13(14)10-17(21)23-18)15-6-7-16-19(2,3)8-5-9-20(15,16)4/h13-16,18H,1,5-11H2,2-4H3/t13-,14+,15-,16+,18-,20-/m1/s1
InChIKeyBXUMWQSFSBJMMW-AZFQSKGHSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one with MolForge

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Related Compounds

Norrisolide
CID 11349389
(2S,3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-2-acetyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 11417093
(2S,3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-2-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 46229186
[(2S,3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 162874438
methyl 2-[(3R,4R)-4-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-5-oxooxolan-3-yl]acetate
CID 21726191
CID 23426865
CID 23426865
[(2R)-3-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[(3R)-5-oxooxolan-3-yl]but-3-enyl] acetate
CID 155929227
[(2R,3R,3aR,6aR)-3-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 14465604
methyl 2-[(3R,4R)-4-[1-[(1R,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-5-oxooxolan-3-yl]acetate
CID 23426274
[3-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-(5-oxooxolan-3-yl)but-3-enyl] acetate
CID 23427492
[(2S,3S,3aS,6aS)-3-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 101834846
[3-[1-(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl)ethenyl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 14379768

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 155929225) is (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is C=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1CO[C@@H]2OC(=O)C[C@@H]21.
What is the InChIKey of (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is BXUMWQSFSBJMMW-AZFQSKGHSA-N. The full InChI is InChI=1S/C20H30O3/c1-12(14-11-22-18-13(14)10-17(21)23-18)15-6-7-16-19(2,3)8-5-9-20(15,16)4/h13-16,18H,1,5-11H2,2-4H3/t13-,14+,15-,16+,18-,20-/m1/s1.
What are the key properties of (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 318.46 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 155929225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).