[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate

C19H28O4 — CID 86745749

IUPAC[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
SMILESCOc1c(C)c(C)c(OC)c(CC/C(C)=C\COC(C)=O)c1C
InChIInChI=1S/C19H28O4/c1-12(10-11-23-16(5)20)8-9-17-15(4)18(21-6)13(2)14(3)19(17)22-7/h10H,8-9,11H2,1-7H3/b12-10-
InChIKeySGSTVZCDIYXEST-BENRWUELSA-N
MW320.43 g/mol
LogP4.07
Rot. Bonds7

About [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate

[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate (PubChem CID 86745749) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
PubChem CID86745749
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
SMILESCOc1c(C)c(C)c(OC)c(CC/C(C)=C\COC(C)=O)c1C
InChIInChI=1S/C19H28O4/c1-12(10-11-23-16(5)20)8-9-17-15(4)18(21-6)13(2)14(3)19(17)22-7/h10H,8-9,11H2,1-7H3/b12-10-
InChIKeySGSTVZCDIYXEST-BENRWUELSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate
CID 101259572
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
methyl (E)-6-acetyloxy-4-methylhex-4-enoate
CID 10878162
4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
CID 88733446
4-(2-bromo-5-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 11572987
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
[(E)-3-methyl-7-oxooct-2-enyl] acetate
CID 11019848
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
methyl 3-(2-acetyloxy-3,4,5,6-tetramethylphenyl)propanoate
CID 59881578
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate?
The IUPAC name of [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate (CID 86745749) is [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate.
What is the SMILES notation for [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate?
The canonical SMILES for [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate is COc1c(C)c(C)c(OC)c(CC/C(C)=C\COC(C)=O)c1C.
What is the InChIKey of [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate?
The InChIKey is SGSTVZCDIYXEST-BENRWUELSA-N. The full InChI is InChI=1S/C19H28O4/c1-12(10-11-23-16(5)20)8-9-17-15(4)18(21-6)13(2)14(3)19(17)22-7/h10H,8-9,11H2,1-7H3/b12-10-.
What are the key properties of [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate?
[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate has a molecular weight of 320.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate is sourced from PubChem (CID 86745749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).