1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C26H46 — CID 142245917

IUPAC1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CC[C@H](CC2CCCCC2C2CCC3CCCCC32)C1CC
InChIInChI=1S/C26H46/c1-3-9-19-14-15-22(23(19)4-2)18-21-11-6-8-13-25(21)26-17-16-20-10-5-7-12-24(20)26/h19-26H,3-18H2,1-2H3/t19?,20?,21?,22-,23?,24?,25?,26?/m1/s1
InChIKeyTZPCNFHWYXCWSI-VBSYYEDHSA-N
MW358.65 g/mol
LogP8.25
Rot. Bonds6

About 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 142245917) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID142245917
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CC[C@H](CC2CCCCC2C2CCC3CCCCC32)C1CC
InChIInChI=1S/C26H46/c1-3-9-19-14-15-22(23(19)4-2)18-21-11-6-8-13-25(21)26-17-16-20-10-5-7-12-24(20)26/h19-26H,3-18H2,1-2H3/t19?,20?,21?,22-,23?,24?,25?,26?/m1/s1
InChIKeyTZPCNFHWYXCWSI-VBSYYEDHSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

Perhydrofluorene
CID 21972
1H-Indene, 1-cyclohexyloctahydro-1,3,3-trimethyl-
CID 90758
Dichloro(rac-ethylene(4,5,6,7-tetrahydro-1-indenyl))titanium(IV)
CID 16213678
1-Hexadecyloctahydro-1H-indene
CID 294708
1,10-Di(5'-hexahydroindanyl)decane
CID 296268
Acenaphthylene, dodecahydro-5-pentadecyl-
CID 279539
Exo-tricyclo[6.2.1.0(2.7)]undecane
CID 549151
1,4-Methanonaphthalene, decahydro-6,9,9-trimethyl-
CID 106946
1H-Indene, 1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)octahydro-1,3-dimethyl-
CID 112649
As-Indacene, dodecahydro-4-(1-octylnonyl)-
CID 296574
CID 134992181
CID 134992181
Dichloro [(S,S)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)] zirconium(IV)
CID 16216942

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 142245917) is 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCCC1CC[C@H](CC2CCCCC2C2CCC3CCCCC32)C1CC.
What is the InChIKey of 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is TZPCNFHWYXCWSI-VBSYYEDHSA-N. The full InChI is InChI=1S/C26H46/c1-3-9-19-14-15-22(23(19)4-2)18-21-11-6-8-13-25(21)26-17-16-20-10-5-7-12-24(20)26/h19-26H,3-18H2,1-2H3/t19?,20?,21?,22-,23?,24?,25?,26?/m1/s1.
What are the key properties of 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 358.65 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 142245917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).