1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

C115H214 — CID 158093658

About 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (PubChem CID 158093658) has the molecular formula C115H214 and a molecular weight of 1596.98 g/mol. Its IUPAC name is 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.

Molecular Properties

• Compound Name: 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
• PubChem CID: 158093658
• Molecular Formula: C115H214
• Molecular Weight: 1596.98 g/mol
• Exact Mass: 1595.67
• IUPAC Name: 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
• SMILES: CC(C)(C)C1CC2CCCCCC2C1.CC(C)(C)C1CCC2CCCC2CC1.CC(C)(C)C1CCC2CCCCC2CC1.CC(C)(C)C1CCC2CCCCCC21.CC(C)(C)C1CCCC2CCCC2C1.CC(C)(C)C1CCCC2CCCCC2C1.CC(C)(C)C1CCCCC2CCCC21.CC(C)(C)C1CCCCC2CCCCC21
• InChI: InChI=1S/3C15H28.5C14H26/c1-15(2,3)14-11-7-5-9-12-8-4-6-10-13(12)14;1-15(2,3)14-10-6-9-12-7-4-5-8-13(12)11-14;1-15(2,3)14-10-8-12-6-4-5-7-13(12)9-11-14;1-14(2,3)13-9-5-7-11-6-4-8-12(11)10-13;1-14(2,3)13-10-5-4-7-11-8-6-9-12(11)13;1-14(2,3)13-9-7-11-5-4-6-12(11)8-10-13;1-14(2,3)13-9-11-7-5-4-6-8-12(11)10-13;1-14(2,3)13-10-9-11-7-5-4-6-8-12(11)13/h3*12-14H,4-11H2,1-3H3;5*11-13H,4-10H2,1-3H3
• InChIKey: FOKIROUATZDTMY-UHFFFAOYSA-N
• XLogP: 38.28
• TPSA: 0.00 Ų
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1596.98
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?

The IUPAC name of 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (CID 158093658) is 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.

What is the SMILES notation for 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?

The canonical SMILES for 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is CC(C)(C)C1CC2CCCCCC2C1.CC(C)(C)C1CCC2CCCC2CC1.CC(C)(C)C1CCC2CCCCC2CC1.CC(C)(C)C1CCC2CCCCCC21.CC(C)(C)C1CCCC2CCCC2C1.CC(C)(C)C1CCCC2CCCCC2C1.CC(C)(C)C1CCCCC2CCCC21.CC(C)(C)C1CCCCC2CCCCC21.

What is the InChIKey of 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?

The InChIKey is FOKIROUATZDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H28.5C14H26/c1-15(2,3)14-11-7-5-9-12-8-4-6-10-13(12)14;1-15(2,3)14-10-6-9-12-7-4-5-8-13(12)11-14;1-15(2,3)14-10-8-12-6-4-5-7-13(12)9-11-14;1-14(2,3)13-9-5-7-11-6-4-8-12(11)10-13;1-14(2,3)13-10-5-4-7-11-8-6-9-12(11)13;1-14(2,3)13-9-7-11-5-4-6-12(11)8-10-13;1-14(2,3)13-9-11-7-5-4-6-8-12(11)10-13;1-14(2,3)13-10-9-11-7-5-4-6-8-12(11)13/h3*12-14H,4-11H2,1-3H3;5*11-13H,4-10H2,1-3H3.

What are the key properties of 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?

1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene has a molecular weight of 1596.98 g/mol, XLogP of 38.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is sourced from PubChem (CID 158093658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).