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

C28H52 — CID 19846742

IUPAC1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(C(C)C2CCC(C(C)C3(CCC)CCCCC3)CC2)CC1
InChIInChI=1S/C28H52/c1-5-10-24-11-13-25(14-12-24)22(3)26-15-17-27(18-16-26)23(4)28(19-6-2)20-8-7-9-21-28/h22-27H,5-21H2,1-4H3
InChIKeyHEDUWGZZTWNIDI-UHFFFAOYSA-N
MW388.72 g/mol
LogP9.42
Rot. Bonds8

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

1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 19846742) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane
PubChem CID19846742
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(C(C)C2CCC(C(C)C3(CCC)CCCCC3)CC2)CC1
InChIInChI=1S/C28H52/c1-5-10-24-11-13-25(14-12-24)22(3)26-15-17-27(18-16-26)23(4)28(19-6-2)20-8-7-9-21-28/h22-27H,5-21H2,1-4H3
InChIKeyHEDUWGZZTWNIDI-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1,1-bis(4-propylcyclohexyl)cyclohexane
CID 54232179
1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane
CID 173391449
3-propylspiro[5.6]dodecane
CID 163613469
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane (CID 19846742) is 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane is CCCC1CCC(C(C)C2CCC(C(C)C3(CCC)CCCCC3)CC2)CC1.
What is the InChIKey of 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is HEDUWGZZTWNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52/c1-5-10-24-11-13-25(14-12-24)22(3)26-15-17-27(18-16-26)23(4)28(19-6-2)20-8-7-9-21-28/h22-27H,5-21H2,1-4H3.
What are the key properties of 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane?
1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 388.72 g/mol, XLogP of 9.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19846742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).