ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate

C18H26O4 — CID 59859875

IUPACethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1c(OC)cc(C(C)(C)CC)cc1OC
InChIInChI=1S/C18H26O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h9-12H,7-8H2,1-6H3/b10-9-
InChIKeyHYTSZMSCILRKDK-KTKRTIGZSA-N
MW306.40 g/mol
LogP3.97
Rot. Bonds7

About ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate

ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate (PubChem CID 59859875) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
PubChem CID59859875
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1c(OC)cc(C(C)(C)CC)cc1OC
InChIInChI=1S/C18H26O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h9-12H,7-8H2,1-6H3/b10-9-
InChIKeyHYTSZMSCILRKDK-KTKRTIGZSA-N
XLogP3.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
CID 169481017
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
CID 59859864
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
ethyl (E)-3-(2,5-difluoro-4-methoxyphenyl)prop-2-enoate
CID 59760132
ethyl (E)-3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 28689337
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl 3-[3,5-dimethoxy-4-(trifluoromethylsulfonyloxy)phenyl]prop-2-enoate
CID 91205025
ethyl (E)-4-(4-chloro-3-methoxyphenyl)-4-methylpent-2-enoate
CID 86599925

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate (CID 59859875) is ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate is CCOC(=O)/C=C\c1c(OC)cc(C(C)(C)CC)cc1OC.
What is the InChIKey of ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate?
The InChIKey is HYTSZMSCILRKDK-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H26O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h9-12H,7-8H2,1-6H3/b10-9-.
What are the key properties of ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate?
ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate has a molecular weight of 306.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 59859875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).