[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane

C13H20O — CID 102107944

IUPAC[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane
SMILESCC(C)(C)C#CCOC/C=C/C1CC1
InChIInChI=1S/C13H20O/c1-13(2,3)9-5-11-14-10-4-6-12-7-8-12/h4,6,12H,7-8,10-11H2,1-3H3/b6-4+
InChIKeyUUZJIVNVQLCJOZ-GQCTYLIASA-N
MW192.30 g/mol
LogP3.02
Rot. Bonds4

About [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane

[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane (PubChem CID 102107944) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane
PubChem CID102107944
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane
SMILESCC(C)(C)C#CCOC/C=C/C1CC1
InChIInChI=1S/C13H20O/c1-13(2,3)9-5-11-14-10-4-6-12-7-8-12/h4,6,12H,7-8,10-11H2,1-3H3/b6-4+
InChIKeyUUZJIVNVQLCJOZ-GQCTYLIASA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane?
The IUPAC name of [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane (CID 102107944) is [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane?
The canonical SMILES for [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane is CC(C)(C)C#CCOC/C=C/C1CC1.
What is the InChIKey of [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane?
The InChIKey is UUZJIVNVQLCJOZ-GQCTYLIASA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)9-5-11-14-10-4-6-12-7-8-12/h4,6,12H,7-8,10-11H2,1-3H3/b6-4+.
What are the key properties of [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane?
[(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane has a molecular weight of 192.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4,4-dimethylpent-2-ynoxy)prop-1-enyl]cyclopropane is sourced from PubChem (CID 102107944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).