1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene

C20H32O3 — CID 83934194

IUPAC1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene
SMILESC=CC(C)Cc1ccc(OCCC)c(OCCC)c1OCCC
InChIInChI=1S/C20H32O3/c1-6-12-21-18-11-10-17(15-16(5)9-4)19(22-13-7-2)20(18)23-14-8-3/h9-11,16H,4,6-8,12-15H2,1-3,5H3
InChIKeyGTDWFLHOQKVTMZ-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.42
Rot. Bonds12

About 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene

1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene (PubChem CID 83934194) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene.

Molecular Properties

Compound Name1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene
PubChem CID83934194
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene
SMILESC=CC(C)Cc1ccc(OCCC)c(OCCC)c1OCCC
InChIInChI=1S/C20H32O3/c1-6-12-21-18-11-10-17(15-16(5)9-4)19(22-13-7-2)20(18)23-14-8-3/h9-11,16H,4,6-8,12-15H2,1-3,5H3
InChIKeyGTDWFLHOQKVTMZ-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
CID 83934016
3-(2,3,4-tripropoxyphenyl)propan-1-amine
CID 95421402
2-(3-methylbutoxy)-1-prop-2-enyl-3-propoxybenzene
CID 24770494
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
CID 24770649
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812
1,2,3,4,5-pentapropoxybenzene
CID 91365553
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene?
The IUPAC name of 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene (CID 83934194) is 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene.
What is the SMILES notation for 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene?
The canonical SMILES for 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene is C=CC(C)Cc1ccc(OCCC)c(OCCC)c1OCCC.
What is the InChIKey of 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene?
The InChIKey is GTDWFLHOQKVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-6-12-21-18-11-10-17(15-16(5)9-4)19(22-13-7-2)20(18)23-14-8-3/h9-11,16H,4,6-8,12-15H2,1-3,5H3.
What are the key properties of 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene?
1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene has a molecular weight of 320.47 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene is sourced from PubChem (CID 83934194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).