nonoxymethoxybenzene

C16H26O2 — CID 151123684

IUPACnonoxymethoxybenzene
SMILESCCCCCCCCCOCOc1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-17-15-18-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChIKeyMSSPZSVDALZDIN-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.79
Rot. Bonds11

About nonoxymethoxybenzene

nonoxymethoxybenzene (PubChem CID 151123684) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is nonoxymethoxybenzene.

Molecular Properties

Compound Namenonoxymethoxybenzene
PubChem CID151123684
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namenonoxymethoxybenzene
SMILESCCCCCCCCCOCOc1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-17-15-18-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChIKeyMSSPZSVDALZDIN-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

hexatriacontoxymethoxybenzene
CID 21131247
pentoxybenzene;undecane
CID 174778179
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-pentoxyethoxybenzene
CID 54431229
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of nonoxymethoxybenzene?
The IUPAC name of nonoxymethoxybenzene (CID 151123684) is nonoxymethoxybenzene.
What is the SMILES notation for nonoxymethoxybenzene?
The canonical SMILES for nonoxymethoxybenzene is CCCCCCCCCOCOc1ccccc1.
What is the InChIKey of nonoxymethoxybenzene?
The InChIKey is MSSPZSVDALZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-17-15-18-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3.
What are the key properties of nonoxymethoxybenzene?
nonoxymethoxybenzene has a molecular weight of 250.38 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxymethoxybenzene is sourced from PubChem (CID 151123684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).