1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane

C11H16O — CID 10931785

IUPAC1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane
SMILESCC#CCOC/C=C/C1CC1C
InChIInChI=1S/C11H16O/c1-3-4-7-12-8-5-6-11-9-10(11)2/h5-6,10-11H,7-9H2,1-2H3/b6-5+
InChIKeyHFGUDLOORGLXRI-AATRIKPKSA-N
MW164.25 g/mol
LogP2.24
Rot. Bonds4

About 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane

1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane (PubChem CID 10931785) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane.

Molecular Properties

Compound Name1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane
PubChem CID10931785
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane
SMILESCC#CCOC/C=C/C1CC1C
InChIInChI=1S/C11H16O/c1-3-4-7-12-8-5-6-11-9-10(11)2/h5-6,10-11H,7-9H2,1-2H3/b6-5+
InChIKeyHFGUDLOORGLXRI-AATRIKPKSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.24
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

[(E)-3-prop-2-enoxyprop-1-enyl]cyclopropane
CID 10931497
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554
[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane
CID 10964575
3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane
CID 10998254
[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane
CID 11073594
[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane
CID 15355270
[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane
CID 102107944
(6E)-8-(2-methylpropoxy)octa-1,6-diene
CID 20397855
8-(2-Methylpropoxy)octa-1,6-diene
CID 53755094
5-Methyl-8-(4-methylocta-2,7-dienoxy)octa-1,6-diene
CID 53992494
4-Methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene
CID 54464581
5-Methyl-1-(5-methylhex-2-enoxy)hex-2-ene
CID 57189089

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane?
The IUPAC name of 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane (CID 10931785) is 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane.
What is the SMILES notation for 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane?
The canonical SMILES for 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane is CC#CCOC/C=C/C1CC1C.
What is the InChIKey of 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane?
The InChIKey is HFGUDLOORGLXRI-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-7-12-8-5-6-11-9-10(11)2/h5-6,10-11H,7-9H2,1-2H3/b6-5+.
What are the key properties of 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane?
1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane has a molecular weight of 164.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-but-2-ynoxyprop-1-enyl]-2-methylcyclopropane is sourced from PubChem (CID 10931785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).