1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane

C27H52 — CID 58552665

IUPAC1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
SMILESCCCCC1CCCCCCCCCCC(C2CCCC(CC)C2)CCC1
InChIInChI=1S/C27H52/c1-3-5-16-25-17-12-10-8-6-7-9-11-13-20-26(21-15-19-25)27-22-14-18-24(4-2)23-27/h24-27H,3-23H2,1-2H3
InChIKeyNQTRZLIRBIJHDZ-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.71
Rot. Bonds5

About 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane

1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane (PubChem CID 58552665) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane.

Molecular Properties

Compound Name1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
PubChem CID58552665
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
SMILESCCCCC1CCCCCCCCCCC(C2CCCC(CC)C2)CCC1
InChIInChI=1S/C27H52/c1-3-5-16-25-17-12-10-8-6-7-9-11-13-20-26(21-15-19-25)27-22-14-18-24(4-2)23-27/h24-27H,3-23H2,1-2H3
InChIKeyNQTRZLIRBIJHDZ-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
CID 23041228
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
(3-ethylcyclopentyl)cyclohexane
CID 142208206
3-(4-ethylcyclohexyl)-14-pentylbicyclo[9.4.0]pentadecane
CID 58552594
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
1-butyl-4-propylcyclononane
CID 123467552
CID 171376493
CID 171376493

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane?
The IUPAC name of 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane (CID 58552665) is 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane.
What is the SMILES notation for 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane?
The canonical SMILES for 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane is CCCCC1CCCCCCCCCCC(C2CCCC(CC)C2)CCC1.
What is the InChIKey of 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane?
The InChIKey is NQTRZLIRBIJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-3-5-16-25-17-12-10-8-6-7-9-11-13-20-26(21-15-19-25)27-22-14-18-24(4-2)23-27/h24-27H,3-23H2,1-2H3.
What are the key properties of 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane?
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane has a molecular weight of 376.71 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane is sourced from PubChem (CID 58552665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).