3-ethyl-3-prop-1-en-2-ylcyclopropyne

C8H10 — CID 90877406

IUPAC3-ethyl-3-prop-1-en-2-ylcyclopropyne
SMILESC=C(C)C1(CC)C#C1
InChIInChI=1S/C8H10/c1-4-8(5-6-8)7(2)3/h2,4H2,1,3H3
InChIKeySWCGUZJASRWFCU-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.98
Rot. Bonds2

About 3-ethyl-3-prop-1-en-2-ylcyclopropyne

3-ethyl-3-prop-1-en-2-ylcyclopropyne (PubChem CID 90877406) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 3-ethyl-3-prop-1-en-2-ylcyclopropyne.

Molecular Properties

Compound Name3-ethyl-3-prop-1-en-2-ylcyclopropyne
PubChem CID90877406
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name3-ethyl-3-prop-1-en-2-ylcyclopropyne
SMILESC=C(C)C1(CC)C#C1
InChIInChI=1S/C8H10/c1-4-8(5-6-8)7(2)3/h2,4H2,1,3H3
InChIKeySWCGUZJASRWFCU-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-1-ene);propane
CID 159493997
1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane
CID 153218597
trimethyl(prop-1-en-2-yl)stannane
CID 11160026
2-methylprop-1-ene;pentan-3-one
CID 174897916
3-ethyl-3-(2-methylprop-2-enyl)oxetane
CID 89146557
methane;bis(2-methylbut-1-ene)
CID 160529780
butane;ethane;2-methylprop-1-ene
CID 142168819
1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
4,5-dimethylideneoctane
CID 13294231
(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene
CID 142205485
3-ethyl-2-fluoro-3-methylpent-1-ene
CID 123981709
1-prop-1-en-2-ylsulfanylpropane
CID 118361917

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-prop-1-en-2-ylcyclopropyne?
The IUPAC name of 3-ethyl-3-prop-1-en-2-ylcyclopropyne (CID 90877406) is 3-ethyl-3-prop-1-en-2-ylcyclopropyne.
What is the SMILES notation for 3-ethyl-3-prop-1-en-2-ylcyclopropyne?
The canonical SMILES for 3-ethyl-3-prop-1-en-2-ylcyclopropyne is C=C(C)C1(CC)C#C1.
What is the InChIKey of 3-ethyl-3-prop-1-en-2-ylcyclopropyne?
The InChIKey is SWCGUZJASRWFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-4-8(5-6-8)7(2)3/h2,4H2,1,3H3.
What are the key properties of 3-ethyl-3-prop-1-en-2-ylcyclopropyne?
3-ethyl-3-prop-1-en-2-ylcyclopropyne has a molecular weight of 106.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-prop-1-en-2-ylcyclopropyne is sourced from PubChem (CID 90877406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).