1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene

C16H26O3 — CID 14121777

IUPAC1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
SMILESCCOC(OCC)c1ccc(C(C)(C)OCC)cc1
InChIInChI=1S/C16H26O3/c1-6-17-15(18-7-2)13-9-11-14(12-10-13)16(4,5)19-8-3/h9-12,15H,6-8H2,1-5H3
InChIKeyOSQUVVBXUNCOAR-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.03
Rot. Bonds8

About 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene

1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene (PubChem CID 14121777) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
PubChem CID14121777
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
SMILESCCOC(OCC)c1ccc(C(C)(C)OCC)cc1
InChIInChI=1S/C16H26O3/c1-6-17-15(18-7-2)13-9-11-14(12-10-13)16(4,5)19-8-3/h9-12,15H,6-8H2,1-5H3
InChIKeyOSQUVVBXUNCOAR-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.03
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

1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
4-(2-ethoxypropan-2-yl)aniline
CID 122627263
[4-(diethoxymethyl)phenyl]methanol
CID 11063705
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
1-tert-butyl-3-(diethoxymethyl)benzene
CID 146004634
4-(diethoxymethyl)pyridine
CID 15389192
dimethyl 2,2-bis[[4-(diethoxymethyl)phenyl]methyl]propanedioate
CID 21265732
1-[4-(diethoxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859140
2-[4-(diethoxymethyl)phenyl]acetonitrile
CID 170886209
1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
CID 174782098
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
1-(diethoxymethyl)-4-[(E)-2-(4-iodophenyl)ethenyl]benzene
CID 101272591

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene?
The IUPAC name of 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene (CID 14121777) is 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene.
What is the SMILES notation for 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene?
The canonical SMILES for 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene is CCOC(OCC)c1ccc(C(C)(C)OCC)cc1.
What is the InChIKey of 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene?
The InChIKey is OSQUVVBXUNCOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-17-15(18-7-2)13-9-11-14(12-10-13)16(4,5)19-8-3/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene?
1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene has a molecular weight of 266.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene is sourced from PubChem (CID 14121777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).