1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene

C15H22O3 — CID 83934116

IUPAC1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene
SMILESC/C=C\CC(C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H22O3/c1-6-7-8-11(2)12-9-10-13(16-3)15(18-5)14(12)17-4/h6-7,9-11H,8H2,1-5H3/b7-6-
InChIKeyYCQGCKNJSNEJEZ-SREVYHEPSA-N
MW250.34 g/mol
LogP3.78
Rot. Bonds6

About 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene

1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene (PubChem CID 83934116) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene
PubChem CID83934116
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene
SMILESC/C=C\CC(C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H22O3/c1-6-7-8-11(2)12-9-10-13(16-3)15(18-5)14(12)17-4/h6-7,9-11H,8H2,1-5H3/b7-6-
InChIKeyYCQGCKNJSNEJEZ-SREVYHEPSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.78
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

2-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
1-(4-bromo-3-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 83934039
4-(2,3,4-trimethoxyphenyl)pentanenitrile
CID 83934096
3-(2,4-dimethoxy-3-methylphenyl)butanal
CID 117318171
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene?
The IUPAC name of 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene (CID 83934116) is 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene is C/C=C\CC(C)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene?
The InChIKey is YCQGCKNJSNEJEZ-SREVYHEPSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-7-8-11(2)12-9-10-13(16-3)15(18-5)14(12)17-4/h6-7,9-11H,8H2,1-5H3/b7-6-.
What are the key properties of 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene?
1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene has a molecular weight of 250.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene is sourced from PubChem (CID 83934116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).