1,1-diphenoxydecoxybenzene

C28H34O3 — CID 150135541

IUPAC1,1-diphenoxydecoxybenzene
SMILESCCCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H34O3/c1-2-3-4-5-6-7-17-24-28(29-25-18-11-8-12-19-25,30-26-20-13-9-14-21-26)31-27-22-15-10-16-23-27/h8-16,18-23H,2-7,17,24H2,1H3
InChIKeyFCDRYOAPHZOJSM-UHFFFAOYSA-N
MW418.58 g/mol
LogP8.02
Rot. Bonds14

About 1,1-diphenoxydecoxybenzene

1,1-diphenoxydecoxybenzene (PubChem CID 150135541) has the molecular formula C28H34O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1,1-diphenoxydecoxybenzene.

Molecular Properties

Compound Name1,1-diphenoxydecoxybenzene
PubChem CID150135541
Molecular FormulaC28H34O3
Molecular Weight418.58 g/mol
Exact Mass418.25
IUPAC Name1,1-diphenoxydecoxybenzene
SMILESCCCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H34O3/c1-2-3-4-5-6-7-17-24-28(29-25-18-11-8-12-19-25,30-26-20-13-9-14-21-26)31-27-22-15-10-16-23-27/h8-16,18-23H,2-7,17,24H2,1H3
InChIKeyFCDRYOAPHZOJSM-UHFFFAOYSA-N
XLogP8.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 58.02
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'}

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Related Compounds

(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
2-(1,1-diphenoxynonyl)phenol
CID 66866946
anthracene;1,1,1-trimethoxyhexadecane
CID 161067972
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
(1-benzylperoxy-1-nonylheptadecoxy)benzene
CID 159299896
[1-(2-methylprop-2-enoyloxy)-1-(4-phenylphenoxy)nonyl] 2-methylprop-2-enoate
CID 142725494
1,1-diphenyldodecan-1-amine
CID 19925745
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
CID 153313983

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenoxydecoxybenzene?
The IUPAC name of 1,1-diphenoxydecoxybenzene (CID 150135541) is 1,1-diphenoxydecoxybenzene.
What is the SMILES notation for 1,1-diphenoxydecoxybenzene?
The canonical SMILES for 1,1-diphenoxydecoxybenzene is CCCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1,1-diphenoxydecoxybenzene?
The InChIKey is FCDRYOAPHZOJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3/c1-2-3-4-5-6-7-17-24-28(29-25-18-11-8-12-19-25,30-26-20-13-9-14-21-26)31-27-22-15-10-16-23-27/h8-16,18-23H,2-7,17,24H2,1H3.
What are the key properties of 1,1-diphenoxydecoxybenzene?
1,1-diphenoxydecoxybenzene has a molecular weight of 418.58 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenoxydecoxybenzene is sourced from PubChem (CID 150135541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).