1-ethyl-3-ethynylcyclopentane

C9H14 — CID 143708095

IUPAC1-ethyl-3-ethynylcyclopentane
SMILESC#CC1CCC(CC)C1
InChIInChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h1,8-9H,4-7H2,2H3
InChIKeyBCLDOMAFKILUKO-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds1

About 1-ethyl-3-ethynylcyclopentane

1-ethyl-3-ethynylcyclopentane (PubChem CID 143708095) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyl-3-ethynylcyclopentane.

Molecular Properties

Compound Name1-ethyl-3-ethynylcyclopentane
PubChem CID143708095
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyl-3-ethynylcyclopentane
SMILESC#CC1CCC(CC)C1
InChIInChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h1,8-9H,4-7H2,2H3
InChIKeyBCLDOMAFKILUKO-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethylcyclopentane-1-carbonitrile
CID 178017257
1,3-diethylcyclopentane
CID 530396
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 54020010
ethanamine;ethylcyclopropane
CID 70018487
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
trans-(1R,3R)-1,3-diethynylcyclohexane
CID 45079190
2,6-diethyl-4-ethynyloxane
CID 174183967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-ethynylcyclopentane?
The IUPAC name of 1-ethyl-3-ethynylcyclopentane (CID 143708095) is 1-ethyl-3-ethynylcyclopentane.
What is the SMILES notation for 1-ethyl-3-ethynylcyclopentane?
The canonical SMILES for 1-ethyl-3-ethynylcyclopentane is C#CC1CCC(CC)C1.
What is the InChIKey of 1-ethyl-3-ethynylcyclopentane?
The InChIKey is BCLDOMAFKILUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h1,8-9H,4-7H2,2H3.
What are the key properties of 1-ethyl-3-ethynylcyclopentane?
1-ethyl-3-ethynylcyclopentane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-ethynylcyclopentane is sourced from PubChem (CID 143708095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).