(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol

C15H26O2 — CID 10657592

IUPAC(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol
SMILESCC1(C)CCC[C@]2(C)[C@@H]3[C@@H](CC[C@@H]12)CO[C@H]3O
InChIInChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15-/m0/s1
InChIKeyJQLJPTCKTYQKIH-WHPHWUKISA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds

About (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol

(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol (PubChem CID 10657592) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol.

Molecular Properties

Compound Name(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol
PubChem CID10657592
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol
SMILESCC1(C)CCC[C@]2(C)[C@@H]3[C@@H](CC[C@@H]12)CO[C@H]3O
InChIInChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15-/m0/s1
InChIKeyJQLJPTCKTYQKIH-WHPHWUKISA-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 (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol?
The IUPAC name of (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol (CID 10657592) is (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol.
What is the SMILES notation for (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol?
The canonical SMILES for (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol is CC1(C)CCC[C@]2(C)[C@@H]3[C@@H](CC[C@@H]12)CO[C@H]3O.
What is the InChIKey of (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol?
The InChIKey is JQLJPTCKTYQKIH-WHPHWUKISA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15-/m0/s1.
What are the key properties of (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol?
(1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-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 (1R,3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-1,3,3a,4,5,5a,7,8,9,9b-decahydrobenzo[g][2]benzofuran-1-ol is sourced from PubChem (CID 10657592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).