1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane

C30H54O — CID 22886261

IUPAC1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(COC3CCC(C4CCC(CC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54O/c1-3-5-24-8-14-27(15-9-24)28-16-10-25(11-17-28)22-31-30-20-18-29(19-21-30)26-12-6-23(4-2)7-13-26/h23-30H,3-22H2,1-2H3
InChIKeyBTUFUIQSIZOBJN-UHFFFAOYSA-N
MW430.76 g/mol
LogP9.19
Rot. Bonds8

About 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane

1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane (PubChem CID 22886261) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
PubChem CID22886261
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(COC3CCC(C4CCC(CC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54O/c1-3-5-24-8-14-27(15-9-24)28-16-10-25(11-17-28)22-31-30-20-18-29(19-21-30)26-12-6-23(4-2)7-13-26/h23-30H,3-22H2,1-2H3
InChIKeyBTUFUIQSIZOBJN-UHFFFAOYSA-N
XLogP9.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane with MolForge

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Related Compounds

1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54380791
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
1-[4-[(4-propylcyclohexyl)oxymethyl]cyclohexyl]pentan-3-one
CID 70445131
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine
CID 70916018
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane (CID 22886261) is 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane is CCCC1CCC(C2CCC(COC3CCC(C4CCC(CC)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane?
The InChIKey is BTUFUIQSIZOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-3-5-24-8-14-27(15-9-24)28-16-10-25(11-17-28)22-31-30-20-18-29(19-21-30)26-12-6-23(4-2)7-13-26/h23-30H,3-22H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane?
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane has a molecular weight of 430.76 g/mol, XLogP of 9.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane is sourced from PubChem (CID 22886261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).