1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane

C24H44 — CID 23041228

IUPAC1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCCC1CCCC(C2CCC(C3CCC(CC)CC3)CC2)C1
InChIInChI=1S/C24H44/c1-3-5-7-20-8-6-9-24(18-20)23-16-14-22(15-17-23)21-12-10-19(4-2)11-13-21/h19-24H,3-18H2,1-2H3
InChIKeyOBOOCWFXAAMCIM-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.01
Rot. Bonds6

About 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane

1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 23041228) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID23041228
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCCC1CCCC(C2CCC(C3CCC(CC)CC3)CC2)C1
InChIInChI=1S/C24H44/c1-3-5-7-20-8-6-9-24(18-20)23-16-14-22(15-17-23)21-12-10-19(4-2)11-13-21/h19-24H,3-18H2,1-2H3
InChIKeyOBOOCWFXAAMCIM-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
3-(4-ethylcyclohexyl)-14-pentylbicyclo[9.4.0]pentadecane
CID 58552594
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
(2R,7R)-2,7-dibutyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54101502

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane (CID 23041228) is 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane is CCCCC1CCCC(C2CCC(C3CCC(CC)CC3)CC2)C1.
What is the InChIKey of 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is OBOOCWFXAAMCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-3-5-7-20-8-6-9-24(18-20)23-16-14-22(15-17-23)21-12-10-19(4-2)11-13-21/h19-24H,3-18H2,1-2H3.
What are the key properties of 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane?
1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 23041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).