(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane

C15H24Se — CID 102454975

IUPAC(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[Se]C1C=CC=C1
InChIInChI=1S/C15H24Se/c1-11(2)14-9-8-12(3)10-15(14)16-13-6-4-5-7-13/h4-7,11-15H,8-10H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyIGOSEFAVLLIKAT-SNPRPXQTSA-N
MW283.32 g/mol
LogP4.49
Rot. Bonds3

About (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane

(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 102454975) has the molecular formula C15H24Se and a molecular weight of 283.32 g/mol. Its IUPAC name is (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane
PubChem CID102454975
Molecular FormulaC15H24Se
Molecular Weight283.32 g/mol
Exact Mass284.10
IUPAC Name(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[Se]C1C=CC=C1
InChIInChI=1S/C15H24Se/c1-11(2)14-9-8-12(3)10-15(14)16-13-6-4-5-7-13/h4-7,11-15H,8-10H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyIGOSEFAVLLIKAT-SNPRPXQTSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
(1S,2R,4R)-2-cyclopenta-2,4-dien-1-yl-4-methyl-1-propan-2-ylcyclohexane
CID 15360728
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane (CID 102454975) is (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[Se]C1C=CC=C1.
What is the InChIKey of (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IGOSEFAVLLIKAT-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H24Se/c1-11(2)14-9-8-12(3)10-15(14)16-13-6-4-5-7-13/h4-7,11-15H,8-10H2,1-3H3/t12-,14+,15+/m1/s1.
What are the key properties of (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane?
(1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 283.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-cyclopenta-2,4-dien-1-ylselanyl-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 102454975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).