2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane

C21H40 — CID 101318410

IUPAC2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)C(C2CCCCC2)C1C(C)C
InChIInChI=1S/C21H40/c1-14(2)18-12-13-19(15(3)4)21(20(18)16(5)6)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3
InChIKeyCBQGUPNWRALPBY-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.79
Rot. Bonds4

About 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane

2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane (PubChem CID 101318410) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane
PubChem CID101318410
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)C(C2CCCCC2)C1C(C)C
InChIInChI=1S/C21H40/c1-14(2)18-12-13-19(15(3)4)21(20(18)16(5)6)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3
InChIKeyCBQGUPNWRALPBY-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
CID 153452162
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142470319
3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
CID 175612345
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
9-propan-2-ylspiro[3.5]nonane
CID 140652255
methane;propan-2-ylcyclotetradecane
CID 159882779

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane?
The IUPAC name of 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane (CID 101318410) is 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane.
What is the SMILES notation for 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane?
The canonical SMILES for 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane is CC(C)C1CCC(C(C)C)C(C2CCCCC2)C1C(C)C.
What is the InChIKey of 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane?
The InChIKey is CBQGUPNWRALPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-14(2)18-12-13-19(15(3)4)21(20(18)16(5)6)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3.
What are the key properties of 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane?
2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane is sourced from PubChem (CID 101318410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).