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

C16H30O2 — CID 11615813

IUPACmethyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)OC
InChIInChI=1S/C16H30O2/c1-7-8-12(2)9-13(3)10-14(4)11-15(5)16(17)18-6/h11-14H,7-10H2,1-6H3/b15-11+/t12-,13-,14-/m1/s1
InChIKeyNUIYKITVEWTIBX-OXDJQUEGSA-N
MW254.41 g/mol
LogP4.59
Rot. Bonds8

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

methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate (PubChem CID 11615813) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate
PubChem CID11615813
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namemethyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)OC
InChIInChI=1S/C16H30O2/c1-7-8-12(2)9-13(3)10-14(4)11-15(5)16(17)18-6/h11-14H,7-10H2,1-6H3/b15-11+/t12-,13-,14-/m1/s1
InChIKeyNUIYKITVEWTIBX-OXDJQUEGSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate?
The IUPAC name of methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate (CID 11615813) is methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate.
What is the SMILES notation for methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate?
The canonical SMILES for methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate is CCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)OC.
What is the InChIKey of methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate?
The InChIKey is NUIYKITVEWTIBX-OXDJQUEGSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-8-12(2)9-13(3)10-14(4)11-15(5)16(17)18-6/h11-14H,7-10H2,1-6H3/b15-11+/t12-,13-,14-/m1/s1.
What are the key properties of methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate?
methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R,6R,8R)-2,4,6,8-tetramethylundec-2-enoate is sourced from PubChem (CID 11615813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).