9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene

C26H36 — CID 163515199

IUPAC9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESC1=CC(c2c3c(c(C4CCCCC4)c4c2CCCC4)CCCC3)CCC1
InChIInChI=1S/C26H36/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h3,11,19-20H,1-2,4-10,12-18H2
InChIKeyDGBZMNNQFUQKTC-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.32
Rot. Bonds2

About 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene

9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene (PubChem CID 163515199) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene.

Molecular Properties

Compound Name9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene
PubChem CID163515199
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESC1=CC(c2c3c(c(C4CCCCC4)c4c2CCCC4)CCCC3)CCC1
InChIInChI=1S/C26H36/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h3,11,19-20H,1-2,4-10,12-18H2
InChIKeyDGBZMNNQFUQKTC-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The IUPAC name of 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene (CID 163515199) is 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene.
What is the SMILES notation for 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The canonical SMILES for 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene is C1=CC(c2c3c(c(C4CCCCC4)c4c2CCCC4)CCCC3)CCC1.
What is the InChIKey of 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The InChIKey is DGBZMNNQFUQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h3,11,19-20H,1-2,4-10,12-18H2.
What are the key properties of 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene?
9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene has a molecular weight of 348.57 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene is sourced from PubChem (CID 163515199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).