5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene

C15H22O3 — CID 20785899

IUPAC5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C/C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C15H22O3/c1-15(2,3)8-7-11-9-12(16-4)14(18-6)13(10-11)17-5/h7-10H,1-6H3/b8-7+
InChIKeyQYKNYELTGOGLKM-BQYQJAHWSA-N
MW250.34 g/mol
LogP3.77
Rot. Bonds4

About 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene

5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene (PubChem CID 20785899) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
PubChem CID20785899
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C/C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C15H22O3/c1-15(2,3)8-7-11-9-12(16-4)14(18-6)13(10-11)17-5/h7-10H,1-6H3/b8-7+
InChIKeyQYKNYELTGOGLKM-BQYQJAHWSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trimethoxy-5-[(E)-2-(trifluoromethylselanyl)ethenyl]benzene
CID 122369230
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 3045164
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene
CID 46201364
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
1,2,3-trimethoxy-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]benzene
CID 132528887
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene (CID 20785899) is 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene is COc1cc(/C=C/C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene?
The InChIKey is QYKNYELTGOGLKM-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)8-7-11-9-12(16-4)14(18-6)13(10-11)17-5/h7-10H,1-6H3/b8-7+.
What are the key properties of 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene?
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene has a molecular weight of 250.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 20785899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).