1-tert-butyl-4-(2-ethylhexoxymethyl)benzene

C19H32O — CID 134220783

IUPAC1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
SMILESCCCCC(CC)COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32O/c1-6-8-9-16(7-2)14-20-15-17-10-12-18(13-11-17)19(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3
InChIKeyKFNNIJBRHFIBOH-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.72
Rot. Bonds8

About 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene

1-tert-butyl-4-(2-ethylhexoxymethyl)benzene (PubChem CID 134220783) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
PubChem CID134220783
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
SMILESCCCCC(CC)COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32O/c1-6-8-9-16(7-2)14-20-15-17-10-12-18(13-11-17)19(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3
InChIKeyKFNNIJBRHFIBOH-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 162724189
5-(2-ethylhexoxymethyl)-N-propylpyridin-2-amine
CID 63486716
3-[4-(2-ethylhexoxymethyl)phenyl]prop-2-enoic acid
CID 76996157
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
1-tert-butyl-4-[(1S,3S)-3-ethyl-1-methoxyheptyl]benzene
CID 134850947
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
1-tert-butyl-4-[[4-(3-methyloctan-4-yl)phenoxy]methyl]benzene
CID 123902937
3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine
CID 63479122
[4-(2-ethylhexoxymethyl)-2-pyridinyl]hydrazine
CID 62464671

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene (CID 134220783) is 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene is CCCCC(CC)COCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene?
The InChIKey is KFNNIJBRHFIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-6-8-9-16(7-2)14-20-15-17-10-12-18(13-11-17)19(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene?
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene has a molecular weight of 276.46 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-ethylhexoxymethyl)benzene is sourced from PubChem (CID 134220783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).