methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate

C15H28O4 — CID 54671994

IUPACmethyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate
SMILESCOC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)C(C)O
InChIInChI=1S/C15H28O4/c1-10(8-12(3)14(17)19-6)7-11(2)9-15(5,18)13(4)16/h8,10-11,13,16,18H,7,9H2,1-6H3/b12-8+
InChIKeyCKWFXHNQQBEUKJ-XYOKQWHBSA-N
MW272.39 g/mol
LogP2.29
Rot. Bonds7

About methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate

methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate (PubChem CID 54671994) has the molecular formula C15H28O4 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate
PubChem CID54671994
Molecular FormulaC15H28O4
Molecular Weight272.39 g/mol
Exact Mass272.20
IUPAC Namemethyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate
SMILESCOC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)C(C)O
InChIInChI=1S/C15H28O4/c1-10(8-12(3)14(17)19-6)7-11(2)9-15(5,18)13(4)16/h8,10-11,13,16,18H,7,9H2,1-6H3/b12-8+
InChIKeyCKWFXHNQQBEUKJ-XYOKQWHBSA-N
XLogP2.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.29
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)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate?
The IUPAC name of methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate (CID 54671994) is methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate.
What is the SMILES notation for methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate?
The canonical SMILES for methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate is COC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)C(C)O.
What is the InChIKey of methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate?
The InChIKey is CKWFXHNQQBEUKJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H28O4/c1-10(8-12(3)14(17)19-6)7-11(2)9-15(5,18)13(4)16/h8,10-11,13,16,18H,7,9H2,1-6H3/b12-8+.
What are the key properties of methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate?
methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate has a molecular weight of 272.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8,9-dihydroxy-2,4,6,8-tetramethyldec-2-enoate is sourced from PubChem (CID 54671994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).