sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride

C20H40FNaO2Zn — CID 174346153

IUPACsodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
SMILESC/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.F.[H-].[Na+].[Zn]
InChIInChI=1S/C20H38O2.FH.Na.Zn.H/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;;;;/h15-18H,6-14H2,1-5H3,(H,21,22);1H;;;/q;;+1;;-1/b19-15+;;;;/t17-,18-;;;;/m1..../s1
InChIKeyWRRZIULXJWXXEB-PJUKEXJTSA-N
MW419.92 g/mol
LogP3.72
Rot. Bonds13

About sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride

sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride (PubChem CID 174346153) has the molecular formula C20H40FNaO2Zn and a molecular weight of 419.92 g/mol. Its IUPAC name is sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride.

Molecular Properties

Compound Namesodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
PubChem CID174346153
Molecular FormulaC20H40FNaO2Zn
Molecular Weight419.92 g/mol
Exact Mass418.22
IUPAC Namesodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
SMILESC/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.F.[H-].[Na+].[Zn]
InChIInChI=1S/C20H38O2.FH.Na.Zn.H/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;;;;/h15-18H,6-14H2,1-5H3,(H,21,22);1H;;;/q;;+1;;-1/b19-15+;;;;/t17-,18-;;;;/m1..../s1
InChIKeyWRRZIULXJWXXEB-PJUKEXJTSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride with MolForge

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Related Compounds

germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
3,12-dimethyltridec-2-enoic acid
CID 54254777
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
sodium;hydride;phosphono (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoate
CID 174886667
(E)-3,6-dimethylhept-2-enoic acid
CID 21291054
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride?
The IUPAC name of sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride (CID 174346153) is sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride.
What is the SMILES notation for sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride?
The canonical SMILES for sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride is C/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.F.[H-].[Na+].[Zn].
What is the InChIKey of sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride?
The InChIKey is WRRZIULXJWXXEB-PJUKEXJTSA-N. The full InChI is InChI=1S/C20H38O2.FH.Na.Zn.H/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;;;;/h15-18H,6-14H2,1-5H3,(H,21,22);1H;;;/q;;+1;;-1/b19-15+;;;;/t17-,18-;;;;/m1..../s1.
What are the key properties of sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride?
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride has a molecular weight of 419.92 g/mol, XLogP of 3.72, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride is sourced from PubChem (CID 174346153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).