1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane

C22H40 — CID 58552161

IUPAC1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
SMILESCC1CCCCCCC(C2CC(C3CCCCC3)CC2C)C1
InChIInChI=1S/C22H40/c1-17-10-6-3-4-7-13-20(14-17)22-16-21(15-18(22)2)19-11-8-5-9-12-19/h17-22H,3-16H2,1-2H3
InChIKeyDBIUPLHVLLZTLV-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.23
Rot. Bonds2

About 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane

1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane (PubChem CID 58552161) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane.

Molecular Properties

Compound Name1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
PubChem CID58552161
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
SMILESCC1CCCCCCC(C2CC(C3CCCCC3)CC2C)C1
InChIInChI=1S/C22H40/c1-17-10-6-3-4-7-13-20(14-17)22-16-21(15-18(22)2)19-11-8-5-9-12-19/h17-22H,3-16H2,1-2H3
InChIKeyDBIUPLHVLLZTLV-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methylcyclopropyl)cyclooctane
CID 19768877
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
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
1-cyclodecyl-6-methylcycloundecane
CID 123480440
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane?
The IUPAC name of 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane (CID 58552161) is 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane.
What is the SMILES notation for 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane?
The canonical SMILES for 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane is CC1CCCCCCC(C2CC(C3CCCCC3)CC2C)C1.
What is the InChIKey of 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane?
The InChIKey is DBIUPLHVLLZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-17-10-6-3-4-7-13-20(14-17)22-16-21(15-18(22)2)19-11-8-5-9-12-19/h17-22H,3-16H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane?
1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane has a molecular weight of 304.56 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane is sourced from PubChem (CID 58552161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).