1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide

C19H25- — CID 134856636

IUPAC1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide
SMILESCC(C)C1CC[C@H](C)C[C@@H]1[c-]1ccc2ccccc21
InChIInChI=1S/C19H25/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3/q-1/t14-,16?,19-/m0/s1
InChIKeyIDKAGGVNIFARMB-SXUUOERCSA-N
MW253.41 g/mol
LogP5.73
Rot. Bonds2

About 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide

1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide (PubChem CID 134856636) has the molecular formula C19H25- and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide.

Molecular Properties

Compound Name1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide
PubChem CID134856636
Molecular FormulaC19H25-
Molecular Weight253.41 g/mol
Exact Mass253.20
IUPAC Name1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide
SMILESCC(C)C1CC[C@H](C)C[C@@H]1[c-]1ccc2ccccc21
InChIInChI=1S/C19H25/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3/q-1/t14-,16?,19-/m0/s1
InChIKeyIDKAGGVNIFARMB-SXUUOERCSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide);zirconium(4+);dichloride
CID 171377554
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
CID 10096491
CID 10096491
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
CID 10277160
CID 10277160
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
CID 12847229
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide?
The IUPAC name of 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide (CID 134856636) is 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide.
What is the SMILES notation for 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide?
The canonical SMILES for 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide is CC(C)C1CC[C@H](C)C[C@@H]1[c-]1ccc2ccccc21.
What is the InChIKey of 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide?
The InChIKey is IDKAGGVNIFARMB-SXUUOERCSA-N. The full InChI is InChI=1S/C19H25/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3/q-1/t14-,16?,19-/m0/s1.
What are the key properties of 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide?
1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide has a molecular weight of 253.41 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl]inden-1-ide is sourced from PubChem (CID 134856636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).