1-ethenyl-3-ethyl-2-methylcyclopentane

C10H18 — CID 557248

IUPAC1-ethenyl-3-ethyl-2-methylcyclopentane
SMILESC=CC1CCC(CC)C1C
InChIInChI=1S/C10H18/c1-4-9-6-7-10(5-2)8(9)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyXQSGTLGJIDLZGT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds2

About 1-ethenyl-3-ethyl-2-methylcyclopentane

1-ethenyl-3-ethyl-2-methylcyclopentane (PubChem CID 557248) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-2-methylcyclopentane.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-2-methylcyclopentane
PubChem CID557248
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethenyl-3-ethyl-2-methylcyclopentane
SMILESC=CC1CCC(CC)C1C
InChIInChI=1S/C10H18/c1-4-9-6-7-10(5-2)8(9)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyXQSGTLGJIDLZGT-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-2-methylcyclopentane?
The IUPAC name of 1-ethenyl-3-ethyl-2-methylcyclopentane (CID 557248) is 1-ethenyl-3-ethyl-2-methylcyclopentane.
What is the SMILES notation for 1-ethenyl-3-ethyl-2-methylcyclopentane?
The canonical SMILES for 1-ethenyl-3-ethyl-2-methylcyclopentane is C=CC1CCC(CC)C1C.
What is the InChIKey of 1-ethenyl-3-ethyl-2-methylcyclopentane?
The InChIKey is XQSGTLGJIDLZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9-6-7-10(5-2)8(9)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-ethenyl-3-ethyl-2-methylcyclopentane?
1-ethenyl-3-ethyl-2-methylcyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-2-methylcyclopentane is sourced from PubChem (CID 557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).