1-hexyl-4-(trimethoxymethyl)benzene

C16H26O3 — CID 15918565

IUPAC1-hexyl-4-(trimethoxymethyl)benzene
SMILESCCCCCCc1ccc(C(OC)(OC)OC)cc1
InChIInChI=1S/C16H26O3/c1-5-6-7-8-9-14-10-12-15(13-11-14)16(17-2,18-3)19-4/h10-13H,5-9H2,1-4H3
InChIKeyVJHPEIBDNROJOH-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.86
Rot. Bonds9

About 1-hexyl-4-(trimethoxymethyl)benzene

1-hexyl-4-(trimethoxymethyl)benzene (PubChem CID 15918565) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-hexyl-4-(trimethoxymethyl)benzene.

Molecular Properties

Compound Name1-hexyl-4-(trimethoxymethyl)benzene
PubChem CID15918565
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-hexyl-4-(trimethoxymethyl)benzene
SMILESCCCCCCc1ccc(C(OC)(OC)OC)cc1
InChIInChI=1S/C16H26O3/c1-5-6-7-8-9-14-10-12-15(13-11-14)16(17-2,18-3)19-4/h10-13H,5-9H2,1-4H3
InChIKeyVJHPEIBDNROJOH-UHFFFAOYSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.86
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

1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-tert-butyl-4-undecylbenzene
CID 162402478
1-butyl-4-nonylbenzene
CID 59545302
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-[4-(1,1-dimethoxypropyl)dodecyl]-4-(trifluoromethyl)benzene
CID 152548606
1-butyl-4-(triethoxymethyl)benzene
CID 166447467
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-ethyl-4-octacosylbenzene
CID 175218304

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(trimethoxymethyl)benzene?
The IUPAC name of 1-hexyl-4-(trimethoxymethyl)benzene (CID 15918565) is 1-hexyl-4-(trimethoxymethyl)benzene.
What is the SMILES notation for 1-hexyl-4-(trimethoxymethyl)benzene?
The canonical SMILES for 1-hexyl-4-(trimethoxymethyl)benzene is CCCCCCc1ccc(C(OC)(OC)OC)cc1.
What is the InChIKey of 1-hexyl-4-(trimethoxymethyl)benzene?
The InChIKey is VJHPEIBDNROJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-6-7-8-9-14-10-12-15(13-11-14)16(17-2,18-3)19-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-hexyl-4-(trimethoxymethyl)benzene?
1-hexyl-4-(trimethoxymethyl)benzene has a molecular weight of 266.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(trimethoxymethyl)benzene is sourced from PubChem (CID 15918565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).