1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane

C33H60O2 — CID 134482218

IUPAC1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(OC)CC2)CC1C1CC(C2CCC(OC)CC2)CCC1CCC
InChIInChI=1S/C33H60O2/c1-5-7-9-27-11-13-29(25-16-20-31(35-4)21-17-25)23-33(27)32-22-28(12-10-26(32)8-6-2)24-14-18-30(34-3)19-15-24/h24-33H,5-23H2,1-4H3
InChIKeyFZIDMCGQSBHBIS-UHFFFAOYSA-N
MW488.84 g/mol
LogP9.45
Rot. Bonds10

About 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane

1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane (PubChem CID 134482218) has the molecular formula C33H60O2 and a molecular weight of 488.84 g/mol. Its IUPAC name is 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane
PubChem CID134482218
Molecular FormulaC33H60O2
Molecular Weight488.84 g/mol
Exact Mass488.46
IUPAC Name1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(OC)CC2)CC1C1CC(C2CCC(OC)CC2)CCC1CCC
InChIInChI=1S/C33H60O2/c1-5-7-9-27-11-13-29(25-16-20-31(35-4)21-17-25)23-33(27)32-22-28(12-10-26(32)8-6-2)24-14-18-30(34-3)19-15-24/h24-33H,5-23H2,1-4H3
InChIKeyFZIDMCGQSBHBIS-UHFFFAOYSA-N
XLogP9.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.84
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
1-propyl-2-undecylcyclopropane
CID 123636027
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
heptane;methoxycyclopentane
CID 131735357
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
2-butyl-4-ethyl-1-propylcyclohexane
CID 123402768
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
1-butyl-4-(4-ethoxycyclohexyl)cyclohexane;1-butyl-4-(4-methoxycyclohexyl)cyclohexane;1-butyl-4-(4-propoxycyclohexyl)cyclohexane;1-ethoxy-4-(4-ethylcyclohexyl)cyclohexane;1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane;1-ethoxy-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-methoxycyclohexyl)cyclohexane;1-ethyl-4-(4-propoxycyclohexyl)cyclohexane;1-methoxy-4-(4-pentylcyclohexyl)cyclohexane;1-methoxy-4-(4-propylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-pentyl-4-(4-pentylcyclohexyl)cyclohexane;1-pentyl-4-(4-propoxycyclohexyl)cyclohexane;1-propoxy-4-(4-propylcyclohexyl)cyclohexane
CID 167645978
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane (CID 134482218) is 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane is CCCCC1CCC(C2CCC(OC)CC2)CC1C1CC(C2CCC(OC)CC2)CCC1CCC.
What is the InChIKey of 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane?
The InChIKey is FZIDMCGQSBHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O2/c1-5-7-9-27-11-13-29(25-16-20-31(35-4)21-17-25)23-33(27)32-22-28(12-10-26(32)8-6-2)24-14-18-30(34-3)19-15-24/h24-33H,5-23H2,1-4H3.
What are the key properties of 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane?
1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane has a molecular weight of 488.84 g/mol, XLogP of 9.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane is sourced from PubChem (CID 134482218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).