1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane

C19H36 — CID 123854956

IUPAC1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane
SMILESCCC1CC(C)C(C2CC(C)C(CC)CCC2C)C1
InChIInChI=1S/C19H36/c1-6-16-10-15(5)19(12-16)18-11-14(4)17(7-2)9-8-13(18)3/h13-19H,6-12H2,1-5H3
InChIKeyCWQDEMRYCYHLGN-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.16
Rot. Bonds3

About 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane

1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane (PubChem CID 123854956) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane.

Molecular Properties

Compound Name1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane
PubChem CID123854956
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane
SMILESCCC1CC(C)C(C2CC(C)C(CC)CCC2C)C1
InChIInChI=1S/C19H36/c1-6-16-10-15(5)19(12-16)18-11-14(4)17(7-2)9-8-13(18)3/h13-19H,6-12H2,1-5H3
InChIKeyCWQDEMRYCYHLGN-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905
4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
CID 123785959
6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552782
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane?
The IUPAC name of 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane (CID 123854956) is 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane.
What is the SMILES notation for 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane?
The canonical SMILES for 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane is CCC1CC(C)C(C2CC(C)C(CC)CCC2C)C1.
What is the InChIKey of 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane?
The InChIKey is CWQDEMRYCYHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-6-16-10-15(5)19(12-16)18-11-14(4)17(7-2)9-8-13(18)3/h13-19H,6-12H2,1-5H3.
What are the key properties of 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane?
1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane has a molecular weight of 264.50 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane is sourced from PubChem (CID 123854956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).