(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

C14H24O — CID 10727086

IUPAC(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
SMILESCC(C)(C)C1=CC[C@@H]2CCCC[C@]2(O)C1
InChIInChI=1S/C14H24O/c1-13(2,3)12-8-7-11-6-4-5-9-14(11,15)10-12/h8,11,15H,4-7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyVIHLOWATSWFVMI-FZMZJTMJSA-N
MW208.34 g/mol
LogP3.67
Rot. Bonds

About (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (PubChem CID 10727086) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
PubChem CID10727086
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
SMILESCC(C)(C)C1=CC[C@@H]2CCCC[C@]2(O)C1
InChIInChI=1S/C14H24O/c1-13(2,3)12-8-7-11-6-4-5-9-14(11,15)10-12/h8,11,15H,4-7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyVIHLOWATSWFVMI-FZMZJTMJSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol with MolForge

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Related Compounds

[(3aR,7aS)-5-tert-butyl-1,2,3,4,7,7a-hexahydroinden-3a-yl]-dibromoborane
CID 10831547
(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 10823255
(4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 134978773
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
3-tert-butyl-1-cyclopropylcyclobutan-1-ol
CID 153289697
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
CID 152741278
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-5,5-dimethylcyclohexene;methane
CID 158137859
3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene
CID 144643263

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (CID 10727086) is (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol is CC(C)(C)C1=CC[C@@H]2CCCC[C@]2(O)C1.
What is the InChIKey of (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is VIHLOWATSWFVMI-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)12-8-7-11-6-4-5-9-14(11,15)10-12/h8,11,15H,4-7,9-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 208.34 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 10727086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).