1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane

C18H34 — CID 173238361

IUPAC1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane
SMILESCCC1CCCC(C)CC1(C)C1CC(C)CC1C
InChIInChI=1S/C18H34/c1-6-16-9-7-8-13(2)12-18(16,5)17-11-14(3)10-15(17)4/h13-17H,6-12H2,1-5H3
InChIKeyKZDWCVOOANUUGX-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds2

About 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane

1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane (PubChem CID 173238361) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane.

Molecular Properties

Compound Name1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane
PubChem CID173238361
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane
SMILESCCC1CCCC(C)CC1(C)C1CC(C)CC1C
InChIInChI=1S/C18H34/c1-6-16-9-7-8-13(2)12-18(16,5)17-11-14(3)10-15(17)4/h13-17H,6-12H2,1-5H3
InChIKeyKZDWCVOOANUUGX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-methyl-1-(2-methylcyclopropyl)cyclopropane
CID 123849923
1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane
CID 67506215
1,4-dimethyl-2-(1-methylcyclopropyl)cyclopentane
CID 123851354
(8S,9S,10S,13R,14S,17S)-17-ethyl-6,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 57037714
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1,1-diethyl-3-methylcyclohexane
CID 19090157
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
CID 123709133
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2,6-diethyl-1-methylbicyclo[3.1.1]heptane
CID 123140222
(8S,9R,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173313669
(1R)-1,3-dimethylcyclohexane
CID 12594306

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane?
The IUPAC name of 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane (CID 173238361) is 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane.
What is the SMILES notation for 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane?
The canonical SMILES for 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane is CCC1CCCC(C)CC1(C)C1CC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane?
The InChIKey is KZDWCVOOANUUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-6-16-9-7-8-13(2)12-18(16,5)17-11-14(3)10-15(17)4/h13-17H,6-12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane?
1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane is sourced from PubChem (CID 173238361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).