4-ethylpentadec-3-en-3-yloxybenzene

C23H38O — CID 150631918

IUPAC4-ethylpentadec-3-en-3-yloxybenzene
SMILESCCCCCCCCCCCC(CC)=C(CC)Oc1ccccc1
InChIInChI=1S/C23H38O/c1-4-7-8-9-10-11-12-13-15-18-21(5-2)23(6-3)24-22-19-16-14-17-20-22/h14,16-17,19-20H,4-13,15,18H2,1-3H3
InChIKeyIYBKKPPIALPUFM-UHFFFAOYSA-N
MW330.56 g/mol
LogP8.06
Rot. Bonds14

About 4-ethylpentadec-3-en-3-yloxybenzene

4-ethylpentadec-3-en-3-yloxybenzene (PubChem CID 150631918) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 4-ethylpentadec-3-en-3-yloxybenzene.

Molecular Properties

Compound Name4-ethylpentadec-3-en-3-yloxybenzene
PubChem CID150631918
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name4-ethylpentadec-3-en-3-yloxybenzene
SMILESCCCCCCCCCCCC(CC)=C(CC)Oc1ccccc1
InChIInChI=1S/C23H38O/c1-4-7-8-9-10-11-12-13-15-18-21(5-2)23(6-3)24-22-19-16-14-17-20-22/h14,16-17,19-20H,4-13,15,18H2,1-3H3
InChIKeyIYBKKPPIALPUFM-UHFFFAOYSA-N
XLogP8.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1-phenoxypropylidene)undecanoic acid
CID 66669493
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
icos-2-en-3-yloxybenzene
CID 151595117
phenyl 2-methylidenenonanoate
CID 102083402
phenyl 5-methyliminooctadecanoate
CID 139895338
phenoxybenzene;tetradecanoic acid
CID 175422794

Frequently Asked Questions

What is the IUPAC name of 4-ethylpentadec-3-en-3-yloxybenzene?
The IUPAC name of 4-ethylpentadec-3-en-3-yloxybenzene (CID 150631918) is 4-ethylpentadec-3-en-3-yloxybenzene.
What is the SMILES notation for 4-ethylpentadec-3-en-3-yloxybenzene?
The canonical SMILES for 4-ethylpentadec-3-en-3-yloxybenzene is CCCCCCCCCCCC(CC)=C(CC)Oc1ccccc1.
What is the InChIKey of 4-ethylpentadec-3-en-3-yloxybenzene?
The InChIKey is IYBKKPPIALPUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-4-7-8-9-10-11-12-13-15-18-21(5-2)23(6-3)24-22-19-16-14-17-20-22/h14,16-17,19-20H,4-13,15,18H2,1-3H3.
What are the key properties of 4-ethylpentadec-3-en-3-yloxybenzene?
4-ethylpentadec-3-en-3-yloxybenzene has a molecular weight of 330.56 g/mol, XLogP of 8.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpentadec-3-en-3-yloxybenzene is sourced from PubChem (CID 150631918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).