4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane

C28H50 — CID 58552610

IUPAC4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane
SMILESCC1CCC(C2CC(C)C(C3CCC(CCCCC4CCCCC4)C3C)C2)C1
InChIInChI=1S/C28H50/c1-20-13-14-25(17-20)26-18-21(2)28(19-26)27-16-15-24(22(27)3)12-8-7-11-23-9-5-4-6-10-23/h20-28H,4-19H2,1-3H3
InChIKeyIALLWJHWLPCASS-UHFFFAOYSA-N
MW386.71 g/mol
LogP8.89
Rot. Bonds7

About 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane

4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane (PubChem CID 58552610) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane.

Molecular Properties

Compound Name4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane
PubChem CID58552610
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane
SMILESCC1CCC(C2CC(C)C(C3CCC(CCCCC4CCCCC4)C3C)C2)C1
InChIInChI=1S/C28H50/c1-20-13-14-25(17-20)26-18-21(2)28(19-26)27-16-15-24(22(27)3)12-8-7-11-23-9-5-4-6-10-23/h20-28H,4-19H2,1-3H3
InChIKeyIALLWJHWLPCASS-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
CID 161402901
5-[3-(4-cyclohexylbutyl)-2-methylcyclopentyl]-2,4,5,6,7,7a-hexahydro-1H-indene
CID 58552743
1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
CID 58552161
2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
CID 154060560
1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane
CID 162060466
1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
CID 58552482
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
4-cyclopentylbutylcyclohexane
CID 144547696
cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
CID 123393591
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane?
The IUPAC name of 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane (CID 58552610) is 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane.
What is the SMILES notation for 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane?
The canonical SMILES for 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane is CC1CCC(C2CC(C)C(C3CCC(CCCCC4CCCCC4)C3C)C2)C1.
What is the InChIKey of 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane?
The InChIKey is IALLWJHWLPCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50/c1-20-13-14-25(17-20)26-18-21(2)28(19-26)27-16-15-24(22(27)3)12-8-7-11-23-9-5-4-6-10-23/h20-28H,4-19H2,1-3H3.
What are the key properties of 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane?
4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane has a molecular weight of 386.71 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane is sourced from PubChem (CID 58552610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).