(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane

C33H62 — CID 158900562

IUPAC(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
SMILESCC1CCCCCCCCC1.CCCCCC1CCC(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H40.C11H22/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;1-11-9-7-5-3-2-4-6-8-10-11/h18-22H,2-17H2,1H3;11H,2-10H2,1H3
InChIKeyJFJULPJTFAYQRY-UHFFFAOYSA-N
MW458.86 g/mol
LogP11.52
Rot. Bonds6

About (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane

(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane (PubChem CID 158900562) has the molecular formula C33H62 and a molecular weight of 458.86 g/mol. Its IUPAC name is (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane.

Molecular Properties

Compound Name(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
PubChem CID158900562
Molecular FormulaC33H62
Molecular Weight458.86 g/mol
Exact Mass458.49
IUPAC Name(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
SMILESCC1CCCCCCCCC1.CCCCCC1CCC(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H40.C11H22/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;1-11-9-7-5-3-2-4-6-8-10-11/h18-22H,2-17H2,1H3;11H,2-10H2,1H3
InChIKeyJFJULPJTFAYQRY-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 511.52
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
CID 58552183
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
ethane;tris(methylcyclohexane);octane
CID 142912940
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)
CID 173410079
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane?
The IUPAC name of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane (CID 158900562) is (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane.
What is the SMILES notation for (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane?
The canonical SMILES for (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane is CC1CCCCCCCCC1.CCCCCC1CCC(C2CCCCC2)C1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane?
The InChIKey is JFJULPJTFAYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40.C11H22/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;1-11-9-7-5-3-2-4-6-8-10-11/h18-22H,2-17H2,1H3;11H,2-10H2,1H3.
What are the key properties of (2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane?
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane has a molecular weight of 458.86 g/mol, XLogP of 11.52, 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;methylcyclodecane is sourced from PubChem (CID 158900562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).