(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol

C15H24O — CID 177497973

IUPAC(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol
SMILESC[C@@H]1CC[C@@H]2[C@H](C3=C1[C@H](O)C[C@H]3C)C2(C)C
InChIInChI=1S/C15H24O/c1-8-5-6-10-14(15(10,3)4)13-9(2)7-11(16)12(8)13/h8-11,14,16H,5-7H2,1-4H3/t8-,9-,10-,11-,14-/m1/s1
InChIKeyAMEOWNNBDFHIAS-GOBQNSBTSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol

(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol (PubChem CID 177497973) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol.

Molecular Properties

Compound Name(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol
PubChem CID177497973
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol
SMILESC[C@@H]1CC[C@@H]2[C@H](C3=C1[C@H](O)C[C@H]3C)C2(C)C
InChIInChI=1S/C15H24O/c1-8-5-6-10-14(15(10,3)4)13-9(2)7-11(16)12(8)13/h8-11,14,16H,5-7H2,1-4H3/t8-,9-,10-,11-,14-/m1/s1
InChIKeyAMEOWNNBDFHIAS-GOBQNSBTSA-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,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol with MolForge

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Related Compounds

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CID 5273907
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CID 100979863
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Frequently Asked Questions

What is the IUPAC name of (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol?
The IUPAC name of (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol (CID 177497973) is (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol.
What is the SMILES notation for (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol?
The canonical SMILES for (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol is C[C@@H]1CC[C@@H]2[C@H](C3=C1[C@H](O)C[C@H]3C)C2(C)C.
What is the InChIKey of (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol?
The InChIKey is AMEOWNNBDFHIAS-GOBQNSBTSA-N. The full InChI is InChI=1S/C15H24O/c1-8-5-6-10-14(15(10,3)4)13-9(2)7-11(16)12(8)13/h8-11,14,16H,5-7H2,1-4H3/t8-,9-,10-,11-,14-/m1/s1.
What are the key properties of (1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol?
(1aR,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-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,4R,5R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulen-5-ol is sourced from PubChem (CID 177497973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).