5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene

C11H16O — CID 163916851

IUPAC5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene
SMILESC=COCC(C)C1C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-12-9-10(2)11-7-5-4-6-8-11/h3-7,10-11H,1,8-9H2,2H3
InChIKeyQWZYNENROMFYRT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.91
Rot. Bonds4

About 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene

5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene (PubChem CID 163916851) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene
PubChem CID163916851
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene
SMILESC=COCC(C)C1C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-12-9-10(2)11-7-5-4-6-8-11/h3-7,10-11H,1,8-9H2,2H3
InChIKeyQWZYNENROMFYRT-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
CID 144517685
5-[(3S)-2-methylpent-1-en-3-yl]cyclohexa-1,3-diene
CID 143361604
5-(3-methylhexan-2-yl)cyclohexa-1,3-diene
CID 91301373
(3S)-3-cyclohexa-2,4-dien-1-ylbutan-2-one
CID 143361819
(1S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)ethanol
CID 89001496
N-[(1S,2R)-1-cyclohexa-2,4-dien-1-yl-1-hydroxypropan-2-yl]formamide
CID 155055512
1-ethenoxy-2-methylpropane;methanol
CID 174857186
(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)methanol
CID 102082183
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
hydroxy-methylidene-oxo-pentyl-λ6-sulfane;5-propan-2-ylcyclohexa-1,3-diene
CID 142978551
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene (CID 163916851) is 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene is C=COCC(C)C1C=CC=CC1.
What is the InChIKey of 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene?
The InChIKey is QWZYNENROMFYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-12-9-10(2)11-7-5-4-6-8-11/h3-7,10-11H,1,8-9H2,2H3.
What are the key properties of 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene?
5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene has a molecular weight of 164.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 163916851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).