[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate

C18H26O6 — CID 101259572

IUPAC[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C(\C)CCc1c(O)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C18H26O6/c1-11(9-10-24-18(20)23-6)7-8-14-15(19)17(22-5)13(3)12(2)16(14)21-4/h9,19H,7-8,10H2,1-6H3/b11-9+
InChIKeyONWWIWOEFNCIAE-PKNBQFBNSA-N
MW338.40 g/mol
LogP3.69
Rot. Bonds7

About [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate

[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate (PubChem CID 101259572) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate
PubChem CID101259572
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C(\C)CCc1c(O)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C18H26O6/c1-11(9-10-24-18(20)23-6)7-8-14-15(19)17(22-5)13(3)12(2)16(14)21-4/h9,19H,7-8,10H2,1-6H3/b11-9+
InChIKeyONWWIWOEFNCIAE-PKNBQFBNSA-N
XLogP3.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
CID 86745749
methyl [(E)-3-methyl-5-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pent-2-enyl] carbonate
CID 19819058
(E)-6-(3-fluoro-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid
CID 10756343
(E)-6-(3-bromo-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid
CID 10832148
(E)-6-(3-cyano-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid
CID 10851956
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 84703264
3-(5-bromo-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117488022
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
2-hydroxy-4-methoxy-5,6-dimethyl-3-[(E)-3-methylpent-2-enyl]benzoic acid
CID 142147533
(E)-6-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-4-methylhex-4-enoic acid
CID 10566972

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate?
The IUPAC name of [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate (CID 101259572) is [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate is COC(=O)OC/C=C(\C)CCc1c(O)c(OC)c(C)c(C)c1OC.
What is the InChIKey of [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate?
The InChIKey is ONWWIWOEFNCIAE-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H26O6/c1-11(9-10-24-18(20)23-6)7-8-14-15(19)17(22-5)13(3)12(2)16(14)21-4/h9,19H,7-8,10H2,1-6H3/b11-9+.
What are the key properties of [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate?
[(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate has a molecular weight of 338.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(2-hydroxy-3,6-dimethoxy-4,5-dimethylphenyl)-3-methylpent-2-enyl] methyl carbonate is sourced from PubChem (CID 101259572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).