(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one

C15H20O2 — CID 10036922

IUPAC(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one
SMILESCC1(C)C=C2C(=CC(=O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1
InChIInChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1
InChIKeyQPOZXRYBUZKPPP-AMFBXLIHSA-N
MW232.32 g/mol
LogP2.63
Rot. Bonds

About (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one

(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one (PubChem CID 10036922) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one.

Molecular Properties

Compound Name(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one
PubChem CID10036922
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one
SMILESCC1(C)C=C2C(=CC(=O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1
InChIInChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1
InChIKeyQPOZXRYBUZKPPP-AMFBXLIHSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one?
The IUPAC name of (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one (CID 10036922) is (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one.
What is the SMILES notation for (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one?
The canonical SMILES for (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one is CC1(C)C=C2C(=CC(=O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1.
What is the InChIKey of (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one?
The InChIKey is QPOZXRYBUZKPPP-AMFBXLIHSA-N. The full InChI is InChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1.
What are the key properties of (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one?
(1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one has a molecular weight of 232.32 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one is sourced from PubChem (CID 10036922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).