ethene;nonoxybenzene;phenoxybenzene

C29H38O2 — CID 174749747

IUPACethene;nonoxybenzene;phenoxybenzene
SMILESC=C.CCCCCCCCCOc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H24O.C12H10O.C2H4/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h8-10,12-13H,2-7,11,14H2,1H3;1-10H;1-2H2
InChIKeyKFJSEMPPJPCGTH-UHFFFAOYSA-N
MW418.62 g/mol
LogP9.10
Rot. Bonds11

About ethene;nonoxybenzene;phenoxybenzene

ethene;nonoxybenzene;phenoxybenzene (PubChem CID 174749747) has the molecular formula C29H38O2 and a molecular weight of 418.62 g/mol. Its IUPAC name is ethene;nonoxybenzene;phenoxybenzene.

Molecular Properties

Compound Nameethene;nonoxybenzene;phenoxybenzene
PubChem CID174749747
Molecular FormulaC29H38O2
Molecular Weight418.62 g/mol
Exact Mass418.29
IUPAC Nameethene;nonoxybenzene;phenoxybenzene
SMILESC=C.CCCCCCCCCOc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H24O.C12H10O.C2H4/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h8-10,12-13H,2-7,11,14H2,1H3;1-10H;1-2H2
InChIKeyKFJSEMPPJPCGTH-UHFFFAOYSA-N
XLogP9.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
pentoxybenzene;undecane
CID 174778179
2-dodecoxyethoxybenzene
CID 67831231
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
penta-1,4-diene;pentoxybenzene
CID 174999180
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
nonoxymethoxybenzene
CID 151123684
2-pentoxyethoxybenzene
CID 54431229
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of ethene;nonoxybenzene;phenoxybenzene?
The IUPAC name of ethene;nonoxybenzene;phenoxybenzene (CID 174749747) is ethene;nonoxybenzene;phenoxybenzene.
What is the SMILES notation for ethene;nonoxybenzene;phenoxybenzene?
The canonical SMILES for ethene;nonoxybenzene;phenoxybenzene is C=C.CCCCCCCCCOc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethene;nonoxybenzene;phenoxybenzene?
The InChIKey is KFJSEMPPJPCGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C12H10O.C2H4/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h8-10,12-13H,2-7,11,14H2,1H3;1-10H;1-2H2.
What are the key properties of ethene;nonoxybenzene;phenoxybenzene?
ethene;nonoxybenzene;phenoxybenzene has a molecular weight of 418.62 g/mol, XLogP of 9.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;nonoxybenzene;phenoxybenzene is sourced from PubChem (CID 174749747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).