3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene

C9H8 — CID 123943186

IUPAC3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene
SMILESC#CC1(C)C=C1C#CC
InChIInChI=1S/C9H8/c1-4-6-8-7-9(8,3)5-2/h2,7H,1,3H3
InChIKeyMUVPKZPXWLGWSX-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.59
Rot. Bonds

About 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene

3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene (PubChem CID 123943186) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene.

Molecular Properties

Compound Name3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene
PubChem CID123943186
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene
SMILESC#CC1(C)C=C1C#CC
InChIInChI=1S/C9H8/c1-4-6-8-7-9(8,3)5-2/h2,7H,1,3H3
InChIKeyMUVPKZPXWLGWSX-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.59
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

1-Ethynyl-3,3-dimethylcyclopropene
CID 91407347
(Z)-3-tert-butyl-5-methylhex-3-en-1-yne
CID 91999107
(E)-3,4-ditert-butylhex-3-en-1,5-diyne
CID 100967834
3-(1,1-Dimethylethyl) hex-2-en-4-yne
CID 129768814
3-(1,1-Dimethylethyl)-pent-3-en-1-yne
CID 129768979
1-(3,3-Dimethylbutyn-1-yl)-2,2-dimethylcyclopropene
CID 562771
Oct-3-ene-1,5-diyne, 3-t-butyl-7,7-dimethyl-
CID 5362777
(Z)-3-tert-butyl-7,7-dimethyloct-3-en-1,5-diyne
CID 6536842
(E)-4,5,5-trimethylhex-3-en-1-yne
CID 5705671
(4E)-3,3,4,5-tetramethylocta-1,4-dien-7-yne
CID 57264350
3,3,4,5-Tetramethylhept-4-en-1-yne
CID 91167200
1-Tert-butylcyclobut-1-en-3-yne
CID 123509856

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene?
The IUPAC name of 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene (CID 123943186) is 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene.
What is the SMILES notation for 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene?
The canonical SMILES for 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene is C#CC1(C)C=C1C#CC.
What is the InChIKey of 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene?
The InChIKey is MUVPKZPXWLGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-4-6-8-7-9(8,3)5-2/h2,7H,1,3H3.
What are the key properties of 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene?
3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene has a molecular weight of 116.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-3-methyl-1-prop-1-ynylcyclopropene is sourced from PubChem (CID 123943186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).