2-prop-2-ynoxyethylidenecyclopropane

C8H10O — CID 138974954

IUPAC2-prop-2-ynoxyethylidenecyclopropane
SMILESC#CCOCC=C1CC1
InChIInChI=1S/C8H10O/c1-2-6-9-7-5-8-3-4-8/h1,5H,3-4,6-7H2
InChIKeyAKHQPGWWKXYNNZ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.36
Rot. Bonds3

About 2-prop-2-ynoxyethylidenecyclopropane

2-prop-2-ynoxyethylidenecyclopropane (PubChem CID 138974954) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-2-ynoxyethylidenecyclopropane.

Molecular Properties

Compound Name2-prop-2-ynoxyethylidenecyclopropane
PubChem CID138974954
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-prop-2-ynoxyethylidenecyclopropane
SMILESC#CCOCC=C1CC1
InChIInChI=1S/C8H10O/c1-2-6-9-7-5-8-3-4-8/h1,5H,3-4,6-7H2
InChIKeyAKHQPGWWKXYNNZ-UHFFFAOYSA-N
XLogP1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane
CID 10964575
[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane
CID 11073594
1-(Prop-2-ynoxymethyl)cyclohexa-1,4-diene
CID 135072944
2-(2-Methylprop-2-enoxy)ethylidenecyclopropane
CID 135083788
2-But-2-ynoxyethylidenecyclopropane
CID 138975271
2-Prop-2-enoxyethylidenecyclopropane
CID 139262185
3,4-Dimethyl-1-prop-2-ynoxypent-2-ene
CID 123149569
(3E,5Z)-4-(prop-2-ynoxymethyl)octa-1,3,5,7-tetraene
CID 132083004
(3E)-2-methyl-5-prop-2-ynoxypenta-1,3-diene
CID 137474117
(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene
CID 137474318
2-(2-Cyclopropylideneethoxy)ethylidenecyclopropane
CID 142798735

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxyethylidenecyclopropane?
The IUPAC name of 2-prop-2-ynoxyethylidenecyclopropane (CID 138974954) is 2-prop-2-ynoxyethylidenecyclopropane.
What is the SMILES notation for 2-prop-2-ynoxyethylidenecyclopropane?
The canonical SMILES for 2-prop-2-ynoxyethylidenecyclopropane is C#CCOCC=C1CC1.
What is the InChIKey of 2-prop-2-ynoxyethylidenecyclopropane?
The InChIKey is AKHQPGWWKXYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-6-9-7-5-8-3-4-8/h1,5H,3-4,6-7H2.
What are the key properties of 2-prop-2-ynoxyethylidenecyclopropane?
2-prop-2-ynoxyethylidenecyclopropane has a molecular weight of 122.17 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxyethylidenecyclopropane is sourced from PubChem (CID 138974954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).