1-butyl-4-(triethoxymethyl)benzene

C17H28O3 — CID 166447467

IUPAC1-butyl-4-(triethoxymethyl)benzene
SMILESCCCCc1ccc(C(OCC)(OCC)OCC)cc1
InChIInChI=1S/C17H28O3/c1-5-9-10-15-11-13-16(14-12-15)17(18-6-2,19-7-3)20-8-4/h11-14H,5-10H2,1-4H3
InChIKeyHYWMSFHDVLJBJK-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.25
Rot. Bonds10

About 1-butyl-4-(triethoxymethyl)benzene

1-butyl-4-(triethoxymethyl)benzene (PubChem CID 166447467) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butyl-4-(triethoxymethyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(triethoxymethyl)benzene
PubChem CID166447467
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name1-butyl-4-(triethoxymethyl)benzene
SMILESCCCCc1ccc(C(OCC)(OCC)OCC)cc1
InChIInChI=1S/C17H28O3/c1-5-9-10-15-11-13-16(14-12-15)17(18-6-2,19-7-3)20-8-4/h11-14H,5-10H2,1-4H3
InChIKeyHYWMSFHDVLJBJK-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-4-(trimethoxymethyl)benzene
CID 15918565
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
1-tert-butyl-4-undecylbenzene
CID 162402478
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(triethoxymethyl)benzene?
The IUPAC name of 1-butyl-4-(triethoxymethyl)benzene (CID 166447467) is 1-butyl-4-(triethoxymethyl)benzene.
What is the SMILES notation for 1-butyl-4-(triethoxymethyl)benzene?
The canonical SMILES for 1-butyl-4-(triethoxymethyl)benzene is CCCCc1ccc(C(OCC)(OCC)OCC)cc1.
What is the InChIKey of 1-butyl-4-(triethoxymethyl)benzene?
The InChIKey is HYWMSFHDVLJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-5-9-10-15-11-13-16(14-12-15)17(18-6-2,19-7-3)20-8-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-butyl-4-(triethoxymethyl)benzene?
1-butyl-4-(triethoxymethyl)benzene has a molecular weight of 280.41 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(triethoxymethyl)benzene is sourced from PubChem (CID 166447467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).