(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one

C15H22O2 — CID 15786226

IUPAC(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one
SMILESC[C@H]1CC[C@H]2[C@H](C2(C)C)[C@@]2(O)C1=CC(=O)[C@@H]2C
InChIInChI=1S/C15H22O2/c1-8-5-6-10-13(14(10,3)4)15(17)9(2)12(16)7-11(8)15/h7-10,13,17H,5-6H2,1-4H3/t8-,9-,10-,13+,15-/m0/s1
InChIKeyHKHLLRWQSNCOHC-BLHPFNGSSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one

(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one (PubChem CID 15786226) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one.

Molecular Properties

Compound Name(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one
PubChem CID15786226
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one
SMILESC[C@H]1CC[C@H]2[C@H](C2(C)C)[C@@]2(O)C1=CC(=O)[C@@H]2C
InChIInChI=1S/C15H22O2/c1-8-5-6-10-13(14(10,3)4)15(17)9(2)12(16)7-11(8)15/h7-10,13,17H,5-6H2,1-4H3/t8-,9-,10-,13+,15-/m0/s1
InChIKeyHKHLLRWQSNCOHC-BLHPFNGSSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one 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 (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one?
The IUPAC name of (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one (CID 15786226) is (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one.
What is the SMILES notation for (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one?
The canonical SMILES for (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one is C[C@H]1CC[C@H]2[C@H](C2(C)C)[C@@]2(O)C1=CC(=O)[C@@H]2C.
What is the InChIKey of (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one?
The InChIKey is HKHLLRWQSNCOHC-BLHPFNGSSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-5-6-10-13(14(10,3)4)15(17)9(2)12(16)7-11(8)15/h7-10,13,17H,5-6H2,1-4H3/t8-,9-,10-,13+,15-/m0/s1.
What are the key properties of (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one?
(1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,4S,7R,7aS,7bR)-7a-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4,7,7b-hexahydrocyclopropa[e]azulen-6-one is sourced from PubChem (CID 15786226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).