2-[(E)-5-phenylpent-1-enyl]oxane

C16H22O — CID 10242966

IUPAC2-[(E)-5-phenylpent-1-enyl]oxane
SMILESC(=C/C1CCCCO1)\CCCc1ccccc1
InChIInChI=1S/C16H22O/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2/b12-6+
InChIKeyNJNBFKPYULDAHA-WUXMJOGZSA-N
MW230.35 g/mol
LogP4.13
Rot. Bonds5

About 2-[(E)-5-phenylpent-1-enyl]oxane

2-[(E)-5-phenylpent-1-enyl]oxane (PubChem CID 10242966) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(E)-5-phenylpent-1-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-5-phenylpent-1-enyl]oxane
PubChem CID10242966
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-[(E)-5-phenylpent-1-enyl]oxane
SMILESC(=C/C1CCCCO1)\CCCc1ccccc1
InChIInChI=1S/C16H22O/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2/b12-6+
InChIKeyNJNBFKPYULDAHA-WUXMJOGZSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-phenylpent-1-enyl]oxane?
The IUPAC name of 2-[(E)-5-phenylpent-1-enyl]oxane (CID 10242966) is 2-[(E)-5-phenylpent-1-enyl]oxane.
What is the SMILES notation for 2-[(E)-5-phenylpent-1-enyl]oxane?
The canonical SMILES for 2-[(E)-5-phenylpent-1-enyl]oxane is C(=C/C1CCCCO1)\CCCc1ccccc1.
What is the InChIKey of 2-[(E)-5-phenylpent-1-enyl]oxane?
The InChIKey is NJNBFKPYULDAHA-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H22O/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2/b12-6+.
What are the key properties of 2-[(E)-5-phenylpent-1-enyl]oxane?
2-[(E)-5-phenylpent-1-enyl]oxane has a molecular weight of 230.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-phenylpent-1-enyl]oxane is sourced from PubChem (CID 10242966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).