1-ethyl-3-methyl-2-pentylcyclopentane

C13H26 — CID 91079962

IUPAC1-ethyl-3-methyl-2-pentylcyclopentane
SMILESCCCCCC1C(C)CCC1CC
InChIInChI=1S/C13H26/c1-4-6-7-8-13-11(3)9-10-12(13)5-2/h11-13H,4-10H2,1-3H3
InChIKeySUYJIIQYYHTJBK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds5

About 1-ethyl-3-methyl-2-pentylcyclopentane

1-ethyl-3-methyl-2-pentylcyclopentane (PubChem CID 91079962) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-pentylcyclopentane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-pentylcyclopentane
PubChem CID91079962
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-3-methyl-2-pentylcyclopentane
SMILESCCCCCC1C(C)CCC1CC
InChIInChI=1S/C13H26/c1-4-6-7-8-13-11(3)9-10-12(13)5-2/h11-13H,4-10H2,1-3H3
InChIKeySUYJIIQYYHTJBK-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
2-butyl-3,6-dimethylcyclohexan-1-ol
CID 58534485
2-methyl-7-pentylbicyclo[3.2.0]heptane
CID 91211624
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1-methyl-2-pentadecylcyclopropane
CID 54385825
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
1,2-dimethylcyclobutane;pentane
CID 142846915

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-pentylcyclopentane?
The IUPAC name of 1-ethyl-3-methyl-2-pentylcyclopentane (CID 91079962) is 1-ethyl-3-methyl-2-pentylcyclopentane.
What is the SMILES notation for 1-ethyl-3-methyl-2-pentylcyclopentane?
The canonical SMILES for 1-ethyl-3-methyl-2-pentylcyclopentane is CCCCCC1C(C)CCC1CC.
What is the InChIKey of 1-ethyl-3-methyl-2-pentylcyclopentane?
The InChIKey is SUYJIIQYYHTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-6-7-8-13-11(3)9-10-12(13)5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-2-pentylcyclopentane?
1-ethyl-3-methyl-2-pentylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-pentylcyclopentane is sourced from PubChem (CID 91079962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).