(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)

C14H23ORb — CID 161486481

IUPAC(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)
SMILESC/C=C/C(C)C.CC#CC[C@@H]([O-])/C=C/C.[Rb+]
InChIInChI=1S/C8H11O.C6H12.Rb/c1-3-5-7-8(9)6-4-2;1-4-5-6(2)3;/h4,6,8H,7H2,1-2H3;4-6H,1-3H3;/q-1;;+1/b6-4+;5-4+;/t8-;;/m0../s1
InChIKeyWFARRFFIMRVKAZ-ASYISTDESA-N
MW292.81 g/mol
LogP-0.07
Rot. Bonds3

About (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)

(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+) (PubChem CID 161486481) has the molecular formula C14H23ORb and a molecular weight of 292.81 g/mol. Its IUPAC name is (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+).

Molecular Properties

Compound Name(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)
PubChem CID161486481
Molecular FormulaC14H23ORb
Molecular Weight292.81 g/mol
Exact Mass292.09
IUPAC Name(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)
SMILESC/C=C/C(C)C.CC#CC[C@@H]([O-])/C=C/C.[Rb+]
InChIInChI=1S/C8H11O.C6H12.Rb/c1-3-5-7-8(9)6-4-2;1-4-5-6(2)3;/h4,6,8H,7H2,1-2H3;4-6H,1-3H3;/q-1;;+1/b6-4+;5-4+;/t8-;;/m0../s1
InChIKeyWFARRFFIMRVKAZ-ASYISTDESA-N
XLogP-0.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylpent-2-ene
CID 12659
(E)-4-methylpent-2-ene;propane
CID 142019888
4-methyloct-1-en-6-yne
CID 142524284
2-methyldeca-3,8-dien-5-ol
CID 154211936
4,8-dimethylnona-2,6-diene
CID 54128177
5-ethyl-6-methylhept-2-yne
CID 22224299
1,1-bis(but-2-ynoxy)-2-methylpropane
CID 90242892
(3S,4R)-4-methyloct-1-en-6-yn-3-ol
CID 91492404
5-ethylhept-2-yne
CID 54215545
pent-3-ene-2-thiol
CID 11072706
(E)-4-(2-chloroethoxy)pent-2-ene
CID 55300958
4-prop-1-ynyldeca-2,5,8-triene
CID 123329774

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)?
The IUPAC name of (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+) (CID 161486481) is (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+).
What is the SMILES notation for (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)?
The canonical SMILES for (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+) is C/C=C/C(C)C.CC#CC[C@@H]([O-])/C=C/C.[Rb+].
What is the InChIKey of (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)?
The InChIKey is WFARRFFIMRVKAZ-ASYISTDESA-N. The full InChI is InChI=1S/C8H11O.C6H12.Rb/c1-3-5-7-8(9)6-4-2;1-4-5-6(2)3;/h4,6,8H,7H2,1-2H3;4-6H,1-3H3;/q-1;;+1/b6-4+;5-4+;/t8-;;/m0../s1.
What are the key properties of (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)?
(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+) has a molecular weight of 292.81 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+) is sourced from PubChem (CID 161486481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).