1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene

C19H30O4 — CID 89345176

IUPAC1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene
SMILESC=CCOCC(COc1ccc(CCCC)cc1)OCCOC
InChIInChI=1S/C19H30O4/c1-4-6-7-17-8-10-18(11-9-17)23-16-19(15-21-12-5-2)22-14-13-20-3/h5,8-11,19H,2,4,6-7,12-16H2,1,3H3
InChIKeyKMMOJMMNYHSZBW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.64
Rot. Bonds14

About 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene

1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene (PubChem CID 89345176) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene.

Molecular Properties

Compound Name1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene
PubChem CID89345176
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene
SMILESC=CCOCC(COc1ccc(CCCC)cc1)OCCOC
InChIInChI=1S/C19H30O4/c1-4-6-7-17-8-10-18(11-9-17)23-16-19(15-21-12-5-2)22-14-13-20-3/h5,8-11,19H,2,4,6-7,12-16H2,1,3H3
InChIKeyKMMOJMMNYHSZBW-UHFFFAOYSA-N
XLogP3.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene
CID 20764741
1-butyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene;1-hexyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene;methane;1-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]-4-nonylbenzene;1-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]-4-octylbenzene
CID 158921135
CID 58827406
CID 58827406
butane-1,4-diol;1-butyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene;(2-hydroxyethylamino) methanesulfonate
CID 91420334
amino [1-(4-nonylphenoxy)-3-prop-2-enoxypropan-2-yl]oxyphosphanyl sulfate
CID 91386682
amino [1-(4-octylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethoxymethanesulfonate;butane-1,4-diol
CID 90835853
methyl [1-(4-butylphenoxy)-4-oxohex-5-en-2-yl]oxymethoxymethanesulfonate
CID 161491235
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
4-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propoxy]-N-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propyl]aniline
CID 153498857
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
3-decoxy-2-[2-(4-decylphenoxy)ethoxy]propan-1-ol
CID 67744686
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene?
The IUPAC name of 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene (CID 89345176) is 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene.
What is the SMILES notation for 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene?
The canonical SMILES for 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene is C=CCOCC(COc1ccc(CCCC)cc1)OCCOC.
What is the InChIKey of 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene?
The InChIKey is KMMOJMMNYHSZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-4-6-7-17-8-10-18(11-9-17)23-16-19(15-21-12-5-2)22-14-13-20-3/h5,8-11,19H,2,4,6-7,12-16H2,1,3H3.
What are the key properties of 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene?
1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene has a molecular weight of 322.45 g/mol, XLogP of 3.64, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(2-methoxyethoxy)-3-prop-2-enoxypropoxy]benzene is sourced from PubChem (CID 89345176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).