methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate

C16H30O4 — CID 54671995

IUPACmethyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate
SMILESCOC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC(C)O
InChIInChI=1S/C16H30O4/c1-11(8-13(3)15(18)20-6)7-12(2)9-16(5,19)10-14(4)17/h8,11-12,14,17,19H,7,9-10H2,1-6H3/b13-8+
InChIKeyIQQFJADQXWBZGX-MDWZMJQESA-N
MW286.41 g/mol
LogP2.68
Rot. Bonds8

About methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate

methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate (PubChem CID 54671995) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate
PubChem CID54671995
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namemethyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate
SMILESCOC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC(C)O
InChIInChI=1S/C16H30O4/c1-11(8-13(3)15(18)20-6)7-12(2)9-16(5,19)10-14(4)17/h8,11-12,14,17,19H,7,9-10H2,1-6H3/b13-8+
InChIKeyIQQFJADQXWBZGX-MDWZMJQESA-N
XLogP2.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate?
The IUPAC name of methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate (CID 54671995) is methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate.
What is the SMILES notation for methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate?
The canonical SMILES for methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate is COC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC(C)O.
What is the InChIKey of methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate?
The InChIKey is IQQFJADQXWBZGX-MDWZMJQESA-N. The full InChI is InChI=1S/C16H30O4/c1-11(8-13(3)15(18)20-6)7-12(2)9-16(5,19)10-14(4)17/h8,11-12,14,17,19H,7,9-10H2,1-6H3/b13-8+.
What are the key properties of methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate?
methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate has a molecular weight of 286.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate is sourced from PubChem (CID 54671995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).