(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol

C15H26O2 — CID 14527126

IUPAC(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
SMILESCC1(C)CCC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@]12C
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m1/s1
InChIKeyWYFUXAIEKPJVEH-GGUBGCTKSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds

About (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol

(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol (PubChem CID 14527126) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol.

Molecular Properties

Compound Name(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
PubChem CID14527126
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
SMILESCC1(C)CCC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@]12C
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m1/s1
InChIKeyWYFUXAIEKPJVEH-GGUBGCTKSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 11379426
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CID 134878043
(1R,3aS,4aS,8aS,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 135020352
(1S,2R,5S,8R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-7-oxapentacyclo[9.7.0.02,9.05,9.012,16]octadecan-8-ol
CID 11825604
[3-(Diethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 12800688
4,7-Methanoisobenzofuran-1-ol, octahydro-
CID 13504705
(1S,2R,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 13504706
4a,8,8,8a-Tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 14527125
(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 54537554
(1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 58143073
2-Methyl-4-oxatricyclo[5.2.1.02,6]-decan-3-ol
CID 59602256
(1R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 59649212

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol?
The IUPAC name of (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol (CID 14527126) is (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol.
What is the SMILES notation for (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol?
The canonical SMILES for (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol is CC1(C)CCC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@]12C.
What is the InChIKey of (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol?
The InChIKey is WYFUXAIEKPJVEH-GGUBGCTKSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m1/s1.
What are the key properties of (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol?
(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol is sourced from PubChem (CID 14527126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).