1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene

C16H26O3 — CID 62903326

IUPAC1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
SMILESCCOC(Cc1ccc(C)c(C)c1)(OCC)OCC
InChIInChI=1S/C16H26O3/c1-6-17-16(18-7-2,19-8-3)12-15-10-9-13(4)14(5)11-15/h9-11H,6-8,12H2,1-5H3
InChIKeyVUGYCMXOGFCKRT-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.61
Rot. Bonds8

About 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene

1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene (PubChem CID 62903326) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
PubChem CID62903326
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
SMILESCCOC(Cc1ccc(C)c(C)c1)(OCC)OCC
InChIInChI=1S/C16H26O3/c1-6-17-16(18-7-2,19-8-3)12-15-10-9-13(4)14(5)11-15/h9-11H,6-8,12H2,1-5H3
InChIKeyVUGYCMXOGFCKRT-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-fluoro-4-(2,2,2-triethoxyethyl)benzene
CID 10060972
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759724
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
3-[(3,4-dimethylphenyl)methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid
CID 68578993
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
CID 79007492
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
1,2-dimethyl-4-octylbenzene
CID 14044616

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene?
The IUPAC name of 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene (CID 62903326) is 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene is CCOC(Cc1ccc(C)c(C)c1)(OCC)OCC.
What is the InChIKey of 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene?
The InChIKey is VUGYCMXOGFCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-17-16(18-7-2,19-8-3)12-15-10-9-13(4)14(5)11-15/h9-11H,6-8,12H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene?
1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene has a molecular weight of 266.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene is sourced from PubChem (CID 62903326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).