1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane

C24H46 — CID 158003690

IUPAC1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CC(C(C)(C)C)C(C)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C24H46/c1-9-10-18-11-13-19(14-12-18)20-15-21(23(3,4)5)17(2)22(16-20)24(6,7)8/h17-22H,9-16H2,1-8H3
InChIKeyCRTYMKCXFUTOCR-UHFFFAOYSA-N
MW334.63 g/mol
LogP7.96
Rot. Bonds3

About 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane

1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane (PubChem CID 158003690) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane
PubChem CID158003690
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CC(C(C)(C)C)C(C)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C24H46/c1-9-10-18-11-13-19(14-12-18)20-15-21(23(3,4)5)17(2)22(16-20)24(6,7)8/h17-22H,9-16H2,1-8H3
InChIKeyCRTYMKCXFUTOCR-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-ditert-butyl-2-methyl-5-propylcyclohexane
CID 158500744
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
3-propylbicyclo[4.2.0]octane
CID 145186098
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
CID 142421434
2-ethynyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 88888479
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane (CID 158003690) is 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CC(C(C)(C)C)C(C)C(C(C)(C)C)C2)CC1.
What is the InChIKey of 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The InChIKey is CRTYMKCXFUTOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46/c1-9-10-18-11-13-19(14-12-18)20-15-21(23(3,4)5)17(2)22(16-20)24(6,7)8/h17-22H,9-16H2,1-8H3.
What are the key properties of 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane has a molecular weight of 334.63 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 158003690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).