icos-2-en-3-yloxybenzene

C26H44O — CID 151595117

IUPACicos-2-en-3-yloxybenzene
SMILESCC=C(CCCCCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C26H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(4-2)27-26-23-20-18-21-24-26/h4,18,20-21,23-24H,3,5-17,19,22H2,1-2H3
InChIKeyQJHVGBJHFABPMD-UHFFFAOYSA-N
MW372.64 g/mol
LogP9.23
Rot. Bonds18

About icos-2-en-3-yloxybenzene

icos-2-en-3-yloxybenzene (PubChem CID 151595117) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is icos-2-en-3-yloxybenzene.

Molecular Properties

Compound Nameicos-2-en-3-yloxybenzene
PubChem CID151595117
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Nameicos-2-en-3-yloxybenzene
SMILESCC=C(CCCCCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C26H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(4-2)27-26-23-20-18-21-24-26/h4,18,20-21,23-24H,3,5-17,19,22H2,1-2H3
InChIKeyQJHVGBJHFABPMD-UHFFFAOYSA-N
XLogP9.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 59.23
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

dec-2-en-3-yloxybenzene;propane-1,2,3-triol
CID 161166840
[(Z)-dec-5-en-5-yl]oxybenzene
CID 135061191
phenyl tridecanoate
CID 54389784
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
4-ethylpentadec-3-en-3-yloxybenzene
CID 150631918
3,3-bis(ethenoxy)-2-(2-phenoxyundec-1-enoxy)prop-2-enoic acid
CID 172735566
[2-[(E)-hept-2-en-3-yl]oxyphenyl] acetate
CID 13047622

Frequently Asked Questions

What is the IUPAC name of icos-2-en-3-yloxybenzene?
The IUPAC name of icos-2-en-3-yloxybenzene (CID 151595117) is icos-2-en-3-yloxybenzene.
What is the SMILES notation for icos-2-en-3-yloxybenzene?
The canonical SMILES for icos-2-en-3-yloxybenzene is CC=C(CCCCCCCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of icos-2-en-3-yloxybenzene?
The InChIKey is QJHVGBJHFABPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(4-2)27-26-23-20-18-21-24-26/h4,18,20-21,23-24H,3,5-17,19,22H2,1-2H3.
What are the key properties of icos-2-en-3-yloxybenzene?
icos-2-en-3-yloxybenzene has a molecular weight of 372.64 g/mol, XLogP of 9.23, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icos-2-en-3-yloxybenzene is sourced from PubChem (CID 151595117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).