cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane

C60H120 — CID 162051954

IUPACcis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)[C@@H]1CCCC[C@H]1C(C)C.CC(C)[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/5C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-9(2)11-7-5-6-8-12(11)10(3)4/h5*9-12H,5-8H2,1-4H3/t;;11-,12+;11-,12-;/m...0./s1
InChIKeyYYQWKUVYRVGENR-KEIZZRBQSA-N
MW841.62 g/mol
LogP20.52
Rot. Bonds10

About cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane

cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane (PubChem CID 162051954) has the molecular formula C60H120 and a molecular weight of 841.62 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
PubChem CID162051954
Molecular FormulaC60H120
Molecular Weight841.62 g/mol
Exact Mass840.94
IUPAC Namecis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)[C@@H]1CCCC[C@H]1C(C)C.CC(C)[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/5C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-9(2)11-7-5-6-8-12(11)10(3)4/h5*9-12H,5-8H2,1-4H3/t;;11-,12+;11-,12-;/m...0./s1
InChIKeyYYQWKUVYRVGENR-KEIZZRBQSA-N
XLogP20.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.62
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane with MolForge

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Related Compounds

1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 163534886
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
benzene;propan-2-ylcyclohexane
CID 163364158
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopentane;1,3-di(propan-2-yl)cyclopentane;methane
CID 162269177
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
1-cyclopropylethylcyclopentane
CID 147777183
methane;propan-2-ylcyclotetradecane
CID 159882779
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane?
The IUPAC name of cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane (CID 162051954) is cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane.
What is the SMILES notation for cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane?
The canonical SMILES for cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane is CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)[C@@H]1CCCC[C@H]1C(C)C.CC(C)[C@H]1CCCC[C@H]1C(C)C.
What is the InChIKey of cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane?
The InChIKey is YYQWKUVYRVGENR-KEIZZRBQSA-N. The full InChI is InChI=1S/5C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-9(2)11-7-5-6-8-12(11)10(3)4/h5*9-12H,5-8H2,1-4H3/t;;11-,12+;11-,12-;/m...0./s1.
What are the key properties of cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane?
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane has a molecular weight of 841.62 g/mol, XLogP of 20.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 162051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).