(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol

C15H24O — CID 91747184

IUPAC(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol
SMILESC[C@@H]1C(O)CCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C
InChIInChI=1S/C15H24O/c1-9-12(16)8-6-10-5-7-11-13(14(11,2)3)15(9,10)4/h5,9,11-13,16H,6-8H2,1-4H3/t9-,11-,12?,13+,15+/m1/s1
InChIKeyFILZQHSQXIHNEM-WCRMDNNCSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol

(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol (PubChem CID 91747184) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol.

Molecular Properties

Compound Name(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol
PubChem CID91747184
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol
SMILESC[C@@H]1C(O)CCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C
InChIInChI=1S/C15H24O/c1-9-12(16)8-6-10-5-7-11-13(14(11,2)3)15(9,10)4/h5,9,11-13,16H,6-8H2,1-4H3/t9-,11-,12?,13+,15+/m1/s1
InChIKeyFILZQHSQXIHNEM-WCRMDNNCSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol?
The IUPAC name of (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol (CID 91747184) is (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol.
What is the SMILES notation for (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol?
The canonical SMILES for (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol is C[C@@H]1C(O)CCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C.
What is the InChIKey of (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol?
The InChIKey is FILZQHSQXIHNEM-WCRMDNNCSA-N. The full InChI is InChI=1S/C15H24O/c1-9-12(16)8-6-10-5-7-11-13(14(11,2)3)15(9,10)4/h5,9,11-13,16H,6-8H2,1-4H3/t9-,11-,12?,13+,15+/m1/s1.
What are the key properties of (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol?
(1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7S,7aS,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-6-ol is sourced from PubChem (CID 91747184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).