but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)

C31H56Y14-14 — CID 157369520

IUPACbut-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)
SMILESC=[C-]CC.C=[C-]C[CH-]C[CH2-].[CH2-]CC.[CH2-]C[CH-]C[CH-]CC.[CH2-]C[CH-]C[CH-]C[CH-]C.[CH2-]C[CH2-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H14.C7H13.C6H9.C4H7.C3H7.C3H6.14Y/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-4-2;2*1-3-2;;;;;;;;;;;;;;/h4-5,8H,1,3,6-7H2,2H3;5-6H,1,3-4,7H2,2H3;5H,1-3,6H2;1,4H2,2H3;1,3H2,2H3;1-3H2;;;;;;;;;;;;;;/q-4;2*-3;2*-1;-2;;;;;;;;;;;;;;
InChIKeyOAIPWCDVERCCQE-UHFFFAOYSA-N
MW1673.47 g/mol
LogP10.46
Rot. Bonds13

About but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)

but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium) (PubChem CID 157369520) has the molecular formula C31H56Y14-14 and a molecular weight of 1673.47 g/mol. Its IUPAC name is but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium).

Molecular Properties

Compound Namebut-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)
PubChem CID157369520
Molecular FormulaC31H56Y14-14
Molecular Weight1673.47 g/mol
Exact Mass1673.13
IUPAC Namebut-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)
SMILESC=[C-]CC.C=[C-]C[CH-]C[CH2-].[CH2-]CC.[CH2-]C[CH-]C[CH-]CC.[CH2-]C[CH-]C[CH-]C[CH-]C.[CH2-]C[CH2-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H14.C7H13.C6H9.C4H7.C3H7.C3H6.14Y/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-4-2;2*1-3-2;;;;;;;;;;;;;;/h4-5,8H,1,3,6-7H2,2H3;5-6H,1,3-4,7H2,2H3;5H,1-3,6H2;1,4H2,2H3;1,3H2,2H3;1-3H2;;;;;;;;;;;;;;/q-4;2*-3;2*-1;-2;;;;;;;;;;;;;;
InChIKeyOAIPWCDVERCCQE-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001673.47
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)?
The IUPAC name of but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium) (CID 157369520) is but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium).
What is the SMILES notation for but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)?
The canonical SMILES for but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium) is C=[C-]CC.C=[C-]C[CH-]C[CH2-].[CH2-]CC.[CH2-]C[CH-]C[CH-]CC.[CH2-]C[CH-]C[CH-]C[CH-]C.[CH2-]C[CH2-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)?
The InChIKey is OAIPWCDVERCCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C7H13.C6H9.C4H7.C3H7.C3H6.14Y/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-4-2;2*1-3-2;;;;;;;;;;;;;;/h4-5,8H,1,3,6-7H2,2H3;5-6H,1,3-4,7H2,2H3;5H,1-3,6H2;1,4H2,2H3;1,3H2,2H3;1-3H2;;;;;;;;;;;;;;/q-4;2*-3;2*-1;-2;;;;;;;;;;;;;;.
What are the key properties of but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium)?
but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium) has a molecular weight of 1673.47 g/mol, XLogP of 10.46, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;heptane;hex-1-ene;octane;propane;propane;tetradecakis(yttrium) is sourced from PubChem (CID 157369520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).