(3Z)-2-methylpenta-1,3-diene;yttrium

C6H8Y-2 — CID 58172805

IUPAC(3Z)-2-methylpenta-1,3-diene;yttrium
SMILES[H]/[C-]=C(C)/C=C\[CH2-].[Y]
InChIInChI=1S/C6H8.Y/c1-4-5-6(2)3;/h2,4-5H,1H2,3H3;/q-2;/b5-4-;
InChIKeyZZCICLVXTTVEJL-MKWAYWHRSA-N
MW169.04 g/mol
LogP1.75
Rot. Bonds1

About (3Z)-2-methylpenta-1,3-diene;yttrium

(3Z)-2-methylpenta-1,3-diene;yttrium (PubChem CID 58172805) has the molecular formula C6H8Y-2 and a molecular weight of 169.04 g/mol. Its IUPAC name is (3Z)-2-methylpenta-1,3-diene;yttrium.

Molecular Properties

Compound Name(3Z)-2-methylpenta-1,3-diene;yttrium
PubChem CID58172805
Molecular FormulaC6H8Y-2
Molecular Weight169.04 g/mol
Exact Mass168.97
IUPAC Name(3Z)-2-methylpenta-1,3-diene;yttrium
SMILES[H]/[C-]=C(C)/C=C\[CH2-].[Y]
InChIInChI=1S/C6H8.Y/c1-4-5-6(2)3;/h2,4-5H,1H2,3H3;/q-2;/b5-4-;
InChIKeyZZCICLVXTTVEJL-MKWAYWHRSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.04
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylpenta-1,3-diene;yttrium?
The IUPAC name of (3Z)-2-methylpenta-1,3-diene;yttrium (CID 58172805) is (3Z)-2-methylpenta-1,3-diene;yttrium.
What is the SMILES notation for (3Z)-2-methylpenta-1,3-diene;yttrium?
The canonical SMILES for (3Z)-2-methylpenta-1,3-diene;yttrium is [H]/[C-]=C(C)/C=C\[CH2-].[Y].
What is the InChIKey of (3Z)-2-methylpenta-1,3-diene;yttrium?
The InChIKey is ZZCICLVXTTVEJL-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H8.Y/c1-4-5-6(2)3;/h2,4-5H,1H2,3H3;/q-2;/b5-4-;.
What are the key properties of (3Z)-2-methylpenta-1,3-diene;yttrium?
(3Z)-2-methylpenta-1,3-diene;yttrium has a molecular weight of 169.04 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylpenta-1,3-diene;yttrium is sourced from PubChem (CID 58172805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).