1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane

C25H48 — CID 58552269

IUPAC1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
SMILESCCC1CCCCCCCCCCC(C2CCC(C)CC2C)CCC1
InChIInChI=1S/C25H48/c1-4-23-14-11-9-7-5-6-8-10-12-16-24(17-13-15-23)25-19-18-21(2)20-22(25)3/h21-25H,4-20H2,1-3H3
InChIKeyHDXXDPCCZPHJGX-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.79
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane

1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane (PubChem CID 58552269) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
PubChem CID58552269
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
SMILESCCC1CCCCCCCCCCC(C2CCC(C)CC2C)CCC1
InChIInChI=1S/C25H48/c1-4-23-14-11-9-7-5-6-8-10-12-16-24(17-13-15-23)25-19-18-21(2)20-22(25)3/h21-25H,4-20H2,1-3H3
InChIKeyHDXXDPCCZPHJGX-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
6-(4-ethylcyclohexyl)-1,7-dimethyl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552213
(2-methylcyclopropyl)cyclooctane
CID 19768877
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
CID 157154870
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
CID 81014609

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane (CID 58552269) is 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane is CCC1CCCCCCCCCCC(C2CCC(C)CC2C)CCC1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane?
The InChIKey is HDXXDPCCZPHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-4-23-14-11-9-7-5-6-8-10-12-16-24(17-13-15-23)25-19-18-21(2)20-22(25)3/h21-25H,4-20H2,1-3H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane?
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane has a molecular weight of 348.66 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane is sourced from PubChem (CID 58552269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).