hexatriacontoxymethoxybenzene

C43H80O2 — CID 21131247

IUPAChexatriacontoxymethoxybenzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCOc1ccccc1
InChIInChI=1S/C43H80O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-41-44-42-45-43-39-36-35-37-40-43/h35-37,39-40H,2-34,38,41-42H2,1H3
InChIKeyWTFMTQQXIUYMRA-UHFFFAOYSA-N
MW629.11 g/mol
LogP15.32
Rot. Bonds38

About hexatriacontoxymethoxybenzene

hexatriacontoxymethoxybenzene (PubChem CID 21131247) has the molecular formula C43H80O2 and a molecular weight of 629.11 g/mol. Its IUPAC name is hexatriacontoxymethoxybenzene.

Molecular Properties

Compound Namehexatriacontoxymethoxybenzene
PubChem CID21131247
Molecular FormulaC43H80O2
Molecular Weight629.11 g/mol
Exact Mass628.62
IUPAC Namehexatriacontoxymethoxybenzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCOc1ccccc1
InChIInChI=1S/C43H80O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-41-44-42-45-43-39-36-35-37-40-43/h35-37,39-40H,2-34,38,41-42H2,1H3
InChIKeyWTFMTQQXIUYMRA-UHFFFAOYSA-N
XLogP15.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.11
LogP ≤ 515.32
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

nonoxymethoxybenzene
CID 151123684
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 hexatriacontoxymethoxybenzene?
The IUPAC name of hexatriacontoxymethoxybenzene (CID 21131247) is hexatriacontoxymethoxybenzene.
What is the SMILES notation for hexatriacontoxymethoxybenzene?
The canonical SMILES for hexatriacontoxymethoxybenzene is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCOc1ccccc1.
What is the InChIKey of hexatriacontoxymethoxybenzene?
The InChIKey is WTFMTQQXIUYMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H80O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-41-44-42-45-43-39-36-35-37-40-43/h35-37,39-40H,2-34,38,41-42H2,1H3.
What are the key properties of hexatriacontoxymethoxybenzene?
hexatriacontoxymethoxybenzene has a molecular weight of 629.11 g/mol, XLogP of 15.32, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacontoxymethoxybenzene is sourced from PubChem (CID 21131247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).