5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane

C33H62 — CID 58552327

IUPAC5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane
SMILESCCC1CCC(C2CCC(C3CCCCCCCCCCCCCC(C)(C)CCC3)C2)CC1
InChIInChI=1S/C33H62/c1-4-28-19-21-30(22-20-28)32-24-23-31(27-32)29-17-14-12-10-8-6-5-7-9-11-13-15-25-33(2,3)26-16-18-29/h28-32H,4-27H2,1-3H3
InChIKeyCSLPAUKRAAQUNG-UHFFFAOYSA-N
MW458.86 g/mol
LogP11.52
Rot. Bonds3

About 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane

5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane (PubChem CID 58552327) has the molecular formula C33H62 and a molecular weight of 458.86 g/mol. Its IUPAC name is 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane.

Molecular Properties

Compound Name5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane
PubChem CID58552327
Molecular FormulaC33H62
Molecular Weight458.86 g/mol
Exact Mass458.49
IUPAC Name5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane
SMILESCCC1CCC(C2CCC(C3CCCCCCCCCCCCCC(C)(C)CCC3)C2)CC1
InChIInChI=1S/C33H62/c1-4-28-19-21-30(22-20-28)32-24-23-31(27-32)29-17-14-12-10-8-6-5-7-9-11-13-15-25-33(2,3)26-16-18-29/h28-32H,4-27H2,1-3H3
InChIKeyCSLPAUKRAAQUNG-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane?
The IUPAC name of 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane (CID 58552327) is 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane.
What is the SMILES notation for 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane?
The canonical SMILES for 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane is CCC1CCC(C2CCC(C3CCCCCCCCCCCCCC(C)(C)CCC3)C2)CC1.
What is the InChIKey of 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane?
The InChIKey is CSLPAUKRAAQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62/c1-4-28-19-21-30(22-20-28)32-24-23-31(27-32)29-17-14-12-10-8-6-5-7-9-11-13-15-25-33(2,3)26-16-18-29/h28-32H,4-27H2,1-3H3.
What are the key properties of 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane?
5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane has a molecular weight of 458.86 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylcyclohexyl)cyclopentyl]-1,1-dimethylcyclooctadecane is sourced from PubChem (CID 58552327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).