3-ethenyl-2,8-dioctyldibenzofuran

C30H42O — CID 68687499

IUPAC3-ethenyl-2,8-dioctyldibenzofuran
SMILESC=Cc1cc2oc3ccc(CCCCCCCC)cc3c2cc1CCCCCCCC
InChIInChI=1S/C30H42O/c1-4-7-9-11-13-15-17-24-19-20-29-27(21-24)28-22-26(18-16-14-12-10-8-5-2)25(6-3)23-30(28)31-29/h6,19-23H,3-5,7-18H2,1-2H3
InChIKeyMXPCJNGGRHOZON-UHFFFAOYSA-N
MW418.67 g/mol
LogP10.03
Rot. Bonds15

About 3-ethenyl-2,8-dioctyldibenzofuran

3-ethenyl-2,8-dioctyldibenzofuran (PubChem CID 68687499) has the molecular formula C30H42O and a molecular weight of 418.67 g/mol. Its IUPAC name is 3-ethenyl-2,8-dioctyldibenzofuran.

Molecular Properties

Compound Name3-ethenyl-2,8-dioctyldibenzofuran
PubChem CID68687499
Molecular FormulaC30H42O
Molecular Weight418.67 g/mol
Exact Mass418.32
IUPAC Name3-ethenyl-2,8-dioctyldibenzofuran
SMILESC=Cc1cc2oc3ccc(CCCCCCCC)cc3c2cc1CCCCCCCC
InChIInChI=1S/C30H42O/c1-4-7-9-11-13-15-17-24-19-20-29-27(21-24)28-22-26(18-16-14-12-10-8-5-2)25(6-3)23-30(28)31-29/h6,19-23H,3-5,7-18H2,1-2H3
InChIKeyMXPCJNGGRHOZON-UHFFFAOYSA-N
XLogP10.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethenyl-2,8-dioctyldibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dibutyl-2-ethenylbenzene
CID 140596757
2-dodecylxanthene-9-thione
CID 57217776
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
7,17-bis(4-octylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149834
7-octyl-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118285728
1,3,5-tris-decyl-2-ethenylbenzene
CID 152557926
(2-ethenyl-4,6-dihexylphenyl)-trimethylsilane
CID 11325397
7,16-bis(3-decylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651575
6,16-bis(4-hexylphenyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 156674973
2,4-dipentylbenzaldehyde
CID 19008550
1-dodecyl-4-ethenyl-2,5-diethylbenzene
CID 142098538
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,8-dioctyldibenzofuran?
The IUPAC name of 3-ethenyl-2,8-dioctyldibenzofuran (CID 68687499) is 3-ethenyl-2,8-dioctyldibenzofuran.
What is the SMILES notation for 3-ethenyl-2,8-dioctyldibenzofuran?
The canonical SMILES for 3-ethenyl-2,8-dioctyldibenzofuran is C=Cc1cc2oc3ccc(CCCCCCCC)cc3c2cc1CCCCCCCC.
What is the InChIKey of 3-ethenyl-2,8-dioctyldibenzofuran?
The InChIKey is MXPCJNGGRHOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O/c1-4-7-9-11-13-15-17-24-19-20-29-27(21-24)28-22-26(18-16-14-12-10-8-5-2)25(6-3)23-30(28)31-29/h6,19-23H,3-5,7-18H2,1-2H3.
What are the key properties of 3-ethenyl-2,8-dioctyldibenzofuran?
3-ethenyl-2,8-dioctyldibenzofuran has a molecular weight of 418.67 g/mol, XLogP of 10.03, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,8-dioctyldibenzofuran is sourced from PubChem (CID 68687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).