2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane

C18H34 — CID 101318401

IUPAC2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)C(C2CCCCC2)C1
InChIInChI=1S/C18H34/c1-13(2)16-10-11-17(14(3)4)18(12-16)15-8-6-5-7-9-15/h13-18H,5-12H2,1-4H3
InChIKeyIVQQLVRZNZJHGA-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds3

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

2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane (PubChem CID 101318401) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
PubChem CID101318401
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)C(C2CCCCC2)C1
InChIInChI=1S/C18H34/c1-13(2)16-10-11-17(14(3)4)18(12-16)15-8-6-5-7-9-15/h13-18H,5-12H2,1-4H3
InChIKeyIVQQLVRZNZJHGA-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
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
cumene;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propan-2-ylcyclopentane
CID 162281103
1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142470319
2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane
CID 101318410
1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140664709
ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142300008
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
methane;propan-2-ylcyclotetradecane
CID 159882779
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 58358740

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane?
The IUPAC name of 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane (CID 101318401) is 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane?
The canonical SMILES for 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane is CC(C)C1CCC(C(C)C)C(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane?
The InChIKey is IVQQLVRZNZJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-13(2)16-10-11-17(14(3)4)18(12-16)15-8-6-5-7-9-15/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane?
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 101318401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).