1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane

C14H28 — CID 91358299

IUPAC1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane
SMILESCCC(CC)C1C(C)CCC1(C)CC
InChIInChI=1S/C14H28/c1-6-12(7-2)13-11(4)9-10-14(13,5)8-3/h11-13H,6-10H2,1-5H3
InChIKeyBLBXMFRGLCRKQS-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds4

About 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane

1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane (PubChem CID 91358299) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane.

Molecular Properties

Compound Name1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane
PubChem CID91358299
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane
SMILESCCC(CC)C1C(C)CCC1(C)CC
InChIInChI=1S/C14H28/c1-6-12(7-2)13-11(4)9-10-14(13,5)8-3/h11-13H,6-10H2,1-5H3
InChIKeyBLBXMFRGLCRKQS-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane
CID 123955120
(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
pentan-3-ylcyclopropane
CID 19042038
1,3-diethyl-1,2-dimethylcyclohexane
CID 123496519
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 91374055

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane?
The IUPAC name of 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane (CID 91358299) is 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane.
What is the SMILES notation for 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane?
The canonical SMILES for 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane is CCC(CC)C1C(C)CCC1(C)CC.
What is the InChIKey of 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane?
The InChIKey is BLBXMFRGLCRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-12(7-2)13-11(4)9-10-14(13,5)8-3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane?
1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane is sourced from PubChem (CID 91358299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).