1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane

C118H221F8NO — CID 167558861

IUPAC1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C(C)(C)C)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C)(C)CC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(c2ccccc2)CC1.CC(C)C1CCCC(C)(C)C1.CC(C)[C@H]1CCCC[C@@H]1C.CC1CCC(C(C)C)CC1.COC1CCC(C(C)C)CC1
InChIInChI=1S/C15H22.C13H26.2C11H22.2C10H17F3.C10H20O.2C10H20.C9H16F2.C9H19N/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)10-5-7-11(3,4)8-6-10;1-9(2)10-6-5-7-11(3,4)8-10;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10,11)6-4-8;1-7(2)8-3-5-9(10)6-4-8/h3-7,12-13,15H,8-11H2,1-2H3;10-12H,6-9H2,1-5H3;2*9-10H,5-8H2,1-4H3;2*7-9H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7-9H,3-6,10H2,1-2H3/t;;;;;;;;9-,10+;;/m........0../s1
InChIKeyDJJLWFDMBJSPNT-HQDOMDFESA-N
MW1822.06 g/mol
LogP40.26
Rot. Bonds13

About 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane

1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane (PubChem CID 167558861) has the molecular formula C118H221F8NO and a molecular weight of 1822.06 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane
PubChem CID167558861
Molecular FormulaC118H221F8NO
Molecular Weight1822.06 g/mol
Exact Mass1820.71
IUPAC Name1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C(C)(C)C)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C)(C)CC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(c2ccccc2)CC1.CC(C)C1CCCC(C)(C)C1.CC(C)[C@H]1CCCC[C@@H]1C.CC1CCC(C(C)C)CC1.COC1CCC(C(C)C)CC1
InChIInChI=1S/C15H22.C13H26.2C11H22.2C10H17F3.C10H20O.2C10H20.C9H16F2.C9H19N/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)10-5-7-11(3,4)8-6-10;1-9(2)10-6-5-7-11(3,4)8-10;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10,11)6-4-8;1-7(2)8-3-5-9(10)6-4-8/h3-7,12-13,15H,8-11H2,1-2H3;10-12H,6-9H2,1-5H3;2*9-10H,5-8H2,1-4H3;2*7-9H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7-9H,3-6,10H2,1-2H3/t;;;;;;;;9-,10+;;/m........0../s1
InChIKeyDJJLWFDMBJSPNT-HQDOMDFESA-N
XLogP40.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001822.06
LogP ≤ 540.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane
CID 160735946
1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene
CID 155674738
1-tert-butyl-4-ethylcyclohexane;1-chloro-4-(4-ethylcyclohexyl)benzene;1,4-diethylcyclohexane;ethylcycloheptane;1-(4-ethylcyclohexyl)-4-fluorobenzene;bis(1-(3-ethylcyclohexyl)-4-methylbenzene);2-(3-ethylcyclohexyl)pyridine;3-ethyl-1,1-dimethylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;3-ethyl-1-(4-methylphenyl)piperidine;3-ethyloxane;4-ethyloxane;1-ethyl-3-propan-2-ylcyclohexane;1-ethyl-4-propan-2-ylcyclohexane
CID 158745945
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
(4-phenylcyclohexyl) 2,2-difluoropropanoate
CID 58372434
bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane
CID 160579088
5-(4,4-difluorocyclohexyl)-3-[[hydroxy-(4-methylcyclohexyl)methyl]-(4-methoxycyclohexyl)amino]thiophene-2-carboxylic acid
CID 143324503
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
CID 162144552
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane (CID 167558861) is 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane is CC(C)C1CCC(C(C)(C)C)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C(F)(F)F)CC1.CC(C)C1CCC(C)(C)CC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(c2ccccc2)CC1.CC(C)C1CCCC(C)(C)C1.CC(C)[C@H]1CCCC[C@@H]1C.CC1CCC(C(C)C)CC1.COC1CCC(C(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane?
The InChIKey is DJJLWFDMBJSPNT-HQDOMDFESA-N. The full InChI is InChI=1S/C15H22.C13H26.2C11H22.2C10H17F3.C10H20O.2C10H20.C9H16F2.C9H19N/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)10-5-7-11(3,4)8-6-10;1-9(2)10-6-5-7-11(3,4)8-10;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10,11)6-4-8;1-7(2)8-3-5-9(10)6-4-8/h3-7,12-13,15H,8-11H2,1-2H3;10-12H,6-9H2,1-5H3;2*9-10H,5-8H2,1-4H3;2*7-9H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7-9H,3-6,10H2,1-2H3/t;;;;;;;;9-,10+;;/m........0../s1.
What are the key properties of 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane?
1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane has a molecular weight of 1822.06 g/mol, XLogP of 40.26, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-3-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1-methoxy-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-amine;(4-propan-2-ylcyclohexyl)benzene;bis(1-propan-2-yl-4-(trifluoromethyl)cyclohexane);trans-(1S,2R)-1-methyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 167558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).