(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane

C22H40 — CID 58552183

IUPAC(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
SMILESCCCCCC1CCC(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H40/c1-2-3-6-13-20-16-17-21(18-11-7-4-8-12-18)22(20)19-14-9-5-10-15-19/h18-22H,2-17H2,1H3
InChIKeyDCYCQPMOPBSYPH-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.37
Rot. Bonds6

About (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane

(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane (PubChem CID 58552183) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane.

Molecular Properties

Compound Name(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
PubChem CID58552183
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
SMILESCCCCCC1CCC(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H40/c1-2-3-6-13-20-16-17-21(18-11-7-4-8-12-18)22(20)19-14-9-5-10-15-19/h18-22H,2-17H2,1H3
InChIKeyDCYCQPMOPBSYPH-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.37
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

(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
CID 158900562
2-cyclohexyl-5-pentylcyclopentan-1-ol
CID 22937314
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
(3S,4R)-4-cyclohexyl-3-pentyloxolan-2-one
CID 134999442
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
5,8,14,17,23,26,32,35-octahexyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 91407305
(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54058077

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane?
The IUPAC name of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane (CID 58552183) is (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane.
What is the SMILES notation for (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane?
The canonical SMILES for (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane is CCCCCC1CCC(C2CCCCC2)C1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane?
The InChIKey is DCYCQPMOPBSYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-2-3-6-13-20-16-17-21(18-11-7-4-8-12-18)22(20)19-14-9-5-10-15-19/h18-22H,2-17H2,1H3.
What are the key properties of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane?
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane is sourced from PubChem (CID 58552183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).