7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol

C23H36O2 — CID 57434781

IUPAC7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC1CC(C)(C)CCC21
InChIInChI=1S/C23H36O2/c1-6-7-8-9-11-23(4,5)16-13-18(24)21-17-10-12-22(2,3)15-20(17)25-19(21)14-16/h13-14,17,20,24H,6-12,15H2,1-5H3
InChIKeyGJHWFJYVNZFZHR-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.69
Rot. Bonds6

About 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol

7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol (PubChem CID 57434781) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol.

Molecular Properties

Compound Name7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol
PubChem CID57434781
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC1CC(C)(C)CCC21
InChIInChI=1S/C23H36O2/c1-6-7-8-9-11-23(4,5)16-13-18(24)21-17-10-12-22(2,3)15-20(17)25-19(21)14-16/h13-14,17,20,24H,6-12,15H2,1-5H3
InChIKeyGJHWFJYVNZFZHR-UHFFFAOYSA-N
XLogP6.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol with MolForge

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Related Compounds

3-(2-methylhexan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol
CID 12000709
(6E)-6-hydroxyimino-7,7-dimethyl-3-(2-methylhexan-2-yl)-5a,8,9,9a-tetrahydrodibenzofuran-1-ol
CID 87643262
9-hydroxy-7-(2-methyloctan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 57434787
9-hydroxy-7-(2-methylheptan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 12000974
(6aR,9R,10aR)-6,6-dimethyl-3-(2-methylnonan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 156558015
(6aS,10aR)-9-amino-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CID 70590818
(6Z)-6-hydroxyimino-3-(2-methylheptan-2-yl)-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol
CID 12000975
11-hydroxy-6,6-dimethyl-9-(2-methyloctan-2-yl)-4,5,5a,11b-tetrahydro-1H-oxepino[4,5-c]chromen-2-one
CID 123178354
[1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-yl] nitrate
CID 130237738
(6aR,11aR)-6,6,10-trimethyl-3-(2-methyloctan-2-yl)-7,8,9,11a-tetrahydro-6aH-cyclohepta[c]chromen-1-ol
CID 22807631
2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
3-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 53237275

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol?
The IUPAC name of 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol (CID 57434781) is 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol.
What is the SMILES notation for 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol?
The canonical SMILES for 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol is CCCCCCC(C)(C)c1cc(O)c2c(c1)OC1CC(C)(C)CCC21.
What is the InChIKey of 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol?
The InChIKey is GJHWFJYVNZFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-6-7-8-9-11-23(4,5)16-13-18(24)21-17-10-12-22(2,3)15-20(17)25-19(21)14-16/h13-14,17,20,24H,6-12,15H2,1-5H3.
What are the key properties of 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol?
7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol has a molecular weight of 344.54 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(2-methyloctan-2-yl)-6,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol is sourced from PubChem (CID 57434781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).