1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane

C19H34O — CID 143616670

IUPAC1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
SMILESCC.CCc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O.C2H6/c1-9-12-10-13(16(2,3)4)15(18-8)14(11-12)17(5,6)7;1-2/h10-11H,9H2,1-8H3;1-2H3
InChIKeyCZQHVWJASMETFU-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.88
Rot. Bonds2

About 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane

1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane (PubChem CID 143616670) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane.

Molecular Properties

Compound Name1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
PubChem CID143616670
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
SMILESCC.CCc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O.C2H6/c1-9-12-10-13(16(2,3)4)15(18-8)14(11-12)17(5,6)7;1-2/h10-11H,9H2,1-8H3;1-2H3
InChIKeyCZQHVWJASMETFU-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
CID 58741303
CID 58741303
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
(2,6-ditert-butyl-4-ethylphenyl) dihydrogen phosphate;phosphoric acid
CID 174565442
1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 159607362
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
3-(3,5-ditert-butyl-4-methoxyphenyl)propanethioamide
CID 83938576
2-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83938580

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane?
The IUPAC name of 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane (CID 143616670) is 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane.
What is the SMILES notation for 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane?
The canonical SMILES for 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane is CC.CCc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane?
The InChIKey is CZQHVWJASMETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.C2H6/c1-9-12-10-13(16(2,3)4)15(18-8)14(11-12)17(5,6)7;1-2/h10-11H,9H2,1-8H3;1-2H3.
What are the key properties of 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane?
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane has a molecular weight of 278.48 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane is sourced from PubChem (CID 143616670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).