1-tert-butyl-3-(diethoxymethyl)benzene

C15H24O2 — CID 146004634

IUPAC1-tert-butyl-3-(diethoxymethyl)benzene
SMILESCCOC(OCC)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24O2/c1-6-16-14(17-7-2)12-9-8-10-13(11-12)15(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyQITRFBCUIHLOEE-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.06
Rot. Bonds5

About 1-tert-butyl-3-(diethoxymethyl)benzene

1-tert-butyl-3-(diethoxymethyl)benzene (PubChem CID 146004634) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(diethoxymethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(diethoxymethyl)benzene
PubChem CID146004634
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-tert-butyl-3-(diethoxymethyl)benzene
SMILESCCOC(OCC)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24O2/c1-6-16-14(17-7-2)12-9-8-10-13(11-12)15(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyQITRFBCUIHLOEE-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane
CID 144776759
2-(3-tert-butylphenyl)butanenitrile
CID 139769184
CID 23527699
CID 23527699
1,3-ditert-butyl-2-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326743
2-[3-(dimethoxymethyl)phenyl]propan-2-amine
CID 84780824
1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
CID 14121777
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
1-(3-tert-butylphenyl)-N-chloroethanamine
CID 123238023

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(diethoxymethyl)benzene?
The IUPAC name of 1-tert-butyl-3-(diethoxymethyl)benzene (CID 146004634) is 1-tert-butyl-3-(diethoxymethyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(diethoxymethyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(diethoxymethyl)benzene is CCOC(OCC)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(diethoxymethyl)benzene?
The InChIKey is QITRFBCUIHLOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-16-14(17-7-2)12-9-8-10-13(11-12)15(3,4)5/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(diethoxymethyl)benzene?
1-tert-butyl-3-(diethoxymethyl)benzene has a molecular weight of 236.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(diethoxymethyl)benzene is sourced from PubChem (CID 146004634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).