4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane

C22H42 — CID 91100689

IUPAC4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane
SMILESCCCCC(C)C1(CC)CC1(CCC)C1CCC(C)C(C)C1
InChIInChI=1S/C22H42/c1-7-10-11-19(6)21(9-3)16-22(21,14-8-2)20-13-12-17(4)18(5)15-20/h17-20H,7-16H2,1-6H3
InChIKeyHQOGZTCOWFTFTC-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.47
Rot. Bonds8

About 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane

4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane (PubChem CID 91100689) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane
PubChem CID91100689
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane
SMILESCCCCC(C)C1(CC)CC1(CCC)C1CCC(C)C(C)C1
InChIInChI=1S/C22H42/c1-7-10-11-19(6)21(9-3)16-22(21,14-8-2)20-13-12-17(4)18(5)15-20/h17-20H,7-16H2,1-6H3
InChIKeyHQOGZTCOWFTFTC-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 123569728
1,2-dimethylcyclobutane;pentane
CID 142846915
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
CID 142019945
[1-(3,4-dimethylcyclohexyl)-2-ethylhexyl]hydrazine
CID 105312397
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-hexan-2-ylcyclopropan-1-ol
CID 126975313
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
CID 123200605
1-hexyl-3,4-dimethylcyclohexan-1-amine
CID 64733757

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane?
The IUPAC name of 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane (CID 91100689) is 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane?
The canonical SMILES for 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane is CCCCC(C)C1(CC)CC1(CCC)C1CCC(C)C(C)C1.
What is the InChIKey of 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane?
The InChIKey is HQOGZTCOWFTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-7-10-11-19(6)21(9-3)16-22(21,14-8-2)20-13-12-17(4)18(5)15-20/h17-20H,7-16H2,1-6H3.
What are the key properties of 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane?
4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane has a molecular weight of 306.58 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 91100689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).