7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane

C25H46 — CID 58552621

IUPAC7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
SMILESCCC1CCCC2CCCCC2CC(C2CCCC(CC)C2)CCC1
InChIInChI=1S/C25H46/c1-3-20-10-7-15-22-13-5-6-14-24(22)19-25(17-8-11-20)23-16-9-12-21(4-2)18-23/h20-25H,3-19H2,1-2H3
InChIKeyPUKLXXDMGBGAEM-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.40
Rot. Bonds3

About 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane

7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane (PubChem CID 58552621) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane.

Molecular Properties

Compound Name7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
PubChem CID58552621
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
SMILESCCC1CCCC2CCCCC2CC(C2CCCC(CC)C2)CCC1
InChIInChI=1S/C25H46/c1-3-20-10-7-15-22-13-5-6-14-24(22)19-25(17-8-11-20)23-16-9-12-21(4-2)18-23/h20-25H,3-19H2,1-2H3
InChIKeyPUKLXXDMGBGAEM-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-ethylcyclopentyl)cyclohexane
CID 142208206
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
CID 23041228
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
chromium;bis(ethylcyclopentane)
CID 91996240
ethane;bis(ethylcyclopentane)
CID 158911237
3-(3-ethylcyclohexyl)cycloheptan-1-one
CID 64505271
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane?
The IUPAC name of 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane (CID 58552621) is 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane.
What is the SMILES notation for 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane?
The canonical SMILES for 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane is CCC1CCCC2CCCCC2CC(C2CCCC(CC)C2)CCC1.
What is the InChIKey of 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane?
The InChIKey is PUKLXXDMGBGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-3-20-10-7-15-22-13-5-6-14-24(22)19-25(17-8-11-20)23-16-9-12-21(4-2)18-23/h20-25H,3-19H2,1-2H3.
What are the key properties of 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane?
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane has a molecular weight of 346.64 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane is sourced from PubChem (CID 58552621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).