1-ethenyl-4-hept-4-enoxybenzene

C15H20O — CID 175065592

IUPAC1-ethenyl-4-hept-4-enoxybenzene
SMILESC=Cc1ccc(OCCCC=CCC)cc1
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeySOZDBTQVWGWNNK-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.45
Rot. Bonds7

About 1-ethenyl-4-hept-4-enoxybenzene

1-ethenyl-4-hept-4-enoxybenzene (PubChem CID 175065592) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethenyl-4-hept-4-enoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-hept-4-enoxybenzene
PubChem CID175065592
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-ethenyl-4-hept-4-enoxybenzene
SMILESC=Cc1ccc(OCCCC=CCC)cc1
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeySOZDBTQVWGWNNK-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.45
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'}

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Related Compounds

1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
4-(4-ethenylphenoxy)butyl-dimethoxysilane
CID 123452170
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
CID 68645784
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-hept-4-enoxybenzene?
The IUPAC name of 1-ethenyl-4-hept-4-enoxybenzene (CID 175065592) is 1-ethenyl-4-hept-4-enoxybenzene.
What is the SMILES notation for 1-ethenyl-4-hept-4-enoxybenzene?
The canonical SMILES for 1-ethenyl-4-hept-4-enoxybenzene is C=Cc1ccc(OCCCC=CCC)cc1.
What is the InChIKey of 1-ethenyl-4-hept-4-enoxybenzene?
The InChIKey is SOZDBTQVWGWNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15/h4-6,9-12H,2-3,7-8,13H2,1H3.
What are the key properties of 1-ethenyl-4-hept-4-enoxybenzene?
1-ethenyl-4-hept-4-enoxybenzene has a molecular weight of 216.32 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-hept-4-enoxybenzene is sourced from PubChem (CID 175065592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).