(2-ethenyl-1,1-diphenoxydecoxy)benzene

C30H36O3 — CID 150684790

IUPAC(2-ethenyl-1,1-diphenoxydecoxy)benzene
SMILESC=CC(CCCCCCCC)C(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H36O3/c1-3-5-6-7-8-12-19-26(4-2)30(31-27-20-13-9-14-21-27,32-28-22-15-10-16-23-28)33-29-24-17-11-18-25-29/h4,9-11,13-18,20-26H,2-3,5-8,12,19H2,1H3
InChIKeyJIPVNTTVGUHSIV-UHFFFAOYSA-N
MW444.62 g/mol
LogP8.43
Rot. Bonds15

About (2-ethenyl-1,1-diphenoxydecoxy)benzene

(2-ethenyl-1,1-diphenoxydecoxy)benzene (PubChem CID 150684790) has the molecular formula C30H36O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is (2-ethenyl-1,1-diphenoxydecoxy)benzene.

Molecular Properties

Compound Name(2-ethenyl-1,1-diphenoxydecoxy)benzene
PubChem CID150684790
Molecular FormulaC30H36O3
Molecular Weight444.62 g/mol
Exact Mass444.27
IUPAC Name(2-ethenyl-1,1-diphenoxydecoxy)benzene
SMILESC=CC(CCCCCCCC)C(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H36O3/c1-3-5-6-7-8-12-19-26(4-2)30(31-27-20-13-9-14-21-27,32-28-22-15-10-16-23-28)33-29-24-17-11-18-25-29/h4,9-11,13-18,20-26H,2-3,5-8,12,19H2,1H3
InChIKeyJIPVNTTVGUHSIV-UHFFFAOYSA-N
XLogP8.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1,1-dichloro-2-ethenyldecyl)benzene
CID 150575050
(3-bromo-2-methylpentadecan-2-yl)oxybenzene
CID 69017842
3,3-dimethyldodec-1-en-4-yloxybenzene
CID 158926907
3-(tributoxymethyl)undec-1-ene
CID 150329897
1,1-diethoxy-1-phenoxyundecane-2-sulfonic acid
CID 154421034
3-methyl-2-phenoxynonadecan-2-amine;hydrochloride
CID 175368609
1,1-diphenoxydecoxybenzene
CID 150135541
tetracosan-8-yloxybenzene
CID 154135377
1-prop-2-enylperoxydodecan-3-yloxybenzene
CID 175703122
decan-2-yloxybenzene
CID 12838331
2-ethenyltetradecylbenzene
CID 173452613
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-1,1-diphenoxydecoxy)benzene?
The IUPAC name of (2-ethenyl-1,1-diphenoxydecoxy)benzene (CID 150684790) is (2-ethenyl-1,1-diphenoxydecoxy)benzene.
What is the SMILES notation for (2-ethenyl-1,1-diphenoxydecoxy)benzene?
The canonical SMILES for (2-ethenyl-1,1-diphenoxydecoxy)benzene is C=CC(CCCCCCCC)C(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-ethenyl-1,1-diphenoxydecoxy)benzene?
The InChIKey is JIPVNTTVGUHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O3/c1-3-5-6-7-8-12-19-26(4-2)30(31-27-20-13-9-14-21-27,32-28-22-15-10-16-23-28)33-29-24-17-11-18-25-29/h4,9-11,13-18,20-26H,2-3,5-8,12,19H2,1H3.
What are the key properties of (2-ethenyl-1,1-diphenoxydecoxy)benzene?
(2-ethenyl-1,1-diphenoxydecoxy)benzene has a molecular weight of 444.62 g/mol, XLogP of 8.43, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-1,1-diphenoxydecoxy)benzene is sourced from PubChem (CID 150684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).