10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate

C20H30O5 — CID 177344521

IUPAC10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCc1cc(O)c(O)c(O)c1
InChIInChI=1S/C20H30O5/c1-15(2)20(24)25-12-10-8-6-4-3-5-7-9-11-16-13-17(21)19(23)18(22)14-16/h13-14,21-23H,1,3-12H2,2H3
InChIKeyQYWPWVJZJKGJNN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.59
Rot. Bonds12

About 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate

10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate (PubChem CID 177344521) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
PubChem CID177344521
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCc1cc(O)c(O)c(O)c1
InChIInChI=1S/C20H30O5/c1-15(2)20(24)25-12-10-8-6-4-3-5-7-9-11-16-13-17(21)19(23)18(22)14-16/h13-14,21-23H,1,3-12H2,2H3
InChIKeyQYWPWVJZJKGJNN-UHFFFAOYSA-N
XLogP4.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-(2-methylprop-2-enoyloxy)decyl 17-(3,4,5-trihydroxyphenyl)heptadecanoate
CID 162392811
8-(3,4-dihydroxyphenyl)octyl 2-methylprop-2-enoate
CID 177344511
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
4-[5-(2-methylprop-2-enoyloxy)pentyl]benzoic acid
CID 155394997
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
CID 67989846
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate
CID 118188364
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103

Frequently Asked Questions

What is the IUPAC name of 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate?
The IUPAC name of 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate (CID 177344521) is 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate?
The canonical SMILES for 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCc1cc(O)c(O)c(O)c1.
What is the InChIKey of 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate?
The InChIKey is QYWPWVJZJKGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c1-15(2)20(24)25-12-10-8-6-4-3-5-7-9-11-16-13-17(21)19(23)18(22)14-16/h13-14,21-23H,1,3-12H2,2H3.
What are the key properties of 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate?
10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate has a molecular weight of 350.46 g/mol, XLogP of 4.59, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 177344521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).