5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene

C32H60 — CID 90987651

IUPAC5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene
SMILESCCCCC1(CCCC)CC(C2CCCCC2)C(CCCC)(CCCC)C2CCCCC21
InChIInChI=1S/C32H60/c1-5-9-22-31(23-10-6-2)26-30(27-18-14-13-15-19-27)32(24-11-7-3,25-12-8-4)29-21-17-16-20-28(29)31/h27-30H,5-26H2,1-4H3
InChIKeyNQYIHTRIKCVKBO-UHFFFAOYSA-N
MW444.83 g/mol
LogP11.13
Rot. Bonds13

About 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene

5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene (PubChem CID 90987651) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene.

Molecular Properties

Compound Name5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene
PubChem CID90987651
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Name5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene
SMILESCCCCC1(CCCC)CC(C2CCCCC2)C(CCCC)(CCCC)C2CCCCC21
InChIInChI=1S/C32H60/c1-5-9-22-31(23-10-6-2)26-30(27-18-14-13-15-19-27)32(24-11-7-3,25-12-8-4)29-21-17-16-20-28(29)31/h27-30H,5-26H2,1-4H3
InChIKeyNQYIHTRIKCVKBO-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene with MolForge

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Related Compounds

1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 149036718
2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920767
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
2-butyl-2-ethylcyclohexane-1,3-diol
CID 175397332
1-butyl-1-cycloheptylcycloheptane
CID 140610618
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The IUPAC name of 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene (CID 90987651) is 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene.
What is the SMILES notation for 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The canonical SMILES for 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene is CCCCC1(CCCC)CC(C2CCCCC2)C(CCCC)(CCCC)C2CCCCC21.
What is the InChIKey of 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The InChIKey is NQYIHTRIKCVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60/c1-5-9-22-31(23-10-6-2)26-30(27-18-14-13-15-19-27)32(24-11-7-3,25-12-8-4)29-21-17-16-20-28(29)31/h27-30H,5-26H2,1-4H3.
What are the key properties of 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene has a molecular weight of 444.83 g/mol, XLogP of 11.13, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetrabutyl-6-cyclohexyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene is sourced from PubChem (CID 90987651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).