lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene

C12H21La — CID 146903770

IUPAClanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene
SMILESC[CH-]C.[H]/[C-]=C/C/C(=[C-]/C)C(C)C.[La+3]
InChIInChI=1S/C9H14.C3H7.La/c1-5-7-9(6-2)8(3)4;1-3-2;/h1,5,8H,7H2,2-4H3;3H,1-2H3;/q-2;-1;+3
InChIKeyQSDQURQMJXGZID-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.00
Rot. Bonds3

About lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene

lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene (PubChem CID 146903770) has the molecular formula C12H21La and a molecular weight of 304.21 g/mol. Its IUPAC name is lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene.

Molecular Properties

Compound Namelanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene
PubChem CID146903770
Molecular FormulaC12H21La
Molecular Weight304.21 g/mol
Exact Mass304.07
IUPAC Namelanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene
SMILESC[CH-]C.[H]/[C-]=C/C/C(=[C-]/C)C(C)C.[La+3]
InChIInChI=1S/C9H14.C3H7.La/c1-5-7-9(6-2)8(3)4;1-3-2;/h1,5,8H,7H2,2-4H3;3H,1-2H3;/q-2;-1;+3
InChIKeyQSDQURQMJXGZID-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene?
The IUPAC name of lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene (CID 146903770) is lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene.
What is the SMILES notation for lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene?
The canonical SMILES for lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene is C[CH-]C.[H]/[C-]=C/C/C(=[C-]/C)C(C)C.[La+3].
What is the InChIKey of lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene?
The InChIKey is QSDQURQMJXGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C3H7.La/c1-5-7-9(6-2)8(3)4;1-3-2;/h1,5,8H,7H2,2-4H3;3H,1-2H3;/q-2;-1;+3.
What are the key properties of lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene?
lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene has a molecular weight of 304.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene is sourced from PubChem (CID 146903770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).