5-(hexoxymethyl)-1,2,3-trimethoxybenzene

C16H26O4 — CID 54336542

IUPAC5-(hexoxymethyl)-1,2,3-trimethoxybenzene
SMILESCCCCCCOCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26O4/c1-5-6-7-8-9-20-12-13-10-14(17-2)16(19-4)15(11-13)18-3/h10-11H,5-9,12H2,1-4H3
InChIKeyFEVSMYZPSNQCJE-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.81
Rot. Bonds10

About 5-(hexoxymethyl)-1,2,3-trimethoxybenzene

5-(hexoxymethyl)-1,2,3-trimethoxybenzene (PubChem CID 54336542) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-(hexoxymethyl)-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-(hexoxymethyl)-1,2,3-trimethoxybenzene
PubChem CID54336542
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name5-(hexoxymethyl)-1,2,3-trimethoxybenzene
SMILESCCCCCCOCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26O4/c1-5-6-7-8-9-20-12-13-10-14(17-2)16(19-4)15(11-13)18-3/h10-11H,5-9,12H2,1-4H3
InChIKeyFEVSMYZPSNQCJE-UHFFFAOYSA-N
XLogP3.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
CID 82353691
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790332
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
2,6-dibromo-4-(hexoxymethyl)pyridine
CID 11002629
4-(hexoxymethyl)-2,6-diiodopyridine
CID 11525108
2-methoxy-5-(octoxymethyl)benzenecarbothioamide
CID 65344193

Frequently Asked Questions

What is the IUPAC name of 5-(hexoxymethyl)-1,2,3-trimethoxybenzene?
The IUPAC name of 5-(hexoxymethyl)-1,2,3-trimethoxybenzene (CID 54336542) is 5-(hexoxymethyl)-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-(hexoxymethyl)-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-(hexoxymethyl)-1,2,3-trimethoxybenzene is CCCCCCOCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-(hexoxymethyl)-1,2,3-trimethoxybenzene?
The InChIKey is FEVSMYZPSNQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-6-7-8-9-20-12-13-10-14(17-2)16(19-4)15(11-13)18-3/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 5-(hexoxymethyl)-1,2,3-trimethoxybenzene?
5-(hexoxymethyl)-1,2,3-trimethoxybenzene has a molecular weight of 282.38 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexoxymethyl)-1,2,3-trimethoxybenzene is sourced from PubChem (CID 54336542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).