3-methylhexa-1,5-diene;yttrium

C7H10Y-2 — CID 58489253

IUPAC3-methylhexa-1,5-diene;yttrium
SMILESC=[C-]CC(C)[C-]=C.[Y]
InChIInChI=1S/C7H10.Y/c1-4-6-7(3)5-2;/h7H,1-2,6H2,3H3;/q-2;
InChIKeyMWIXMNBKYNBRNC-UHFFFAOYSA-N
MW183.06 g/mol
LogP1.99
Rot. Bonds3

About 3-methylhexa-1,5-diene;yttrium

3-methylhexa-1,5-diene;yttrium (PubChem CID 58489253) has the molecular formula C7H10Y-2 and a molecular weight of 183.06 g/mol. Its IUPAC name is 3-methylhexa-1,5-diene;yttrium.

Molecular Properties

Compound Name3-methylhexa-1,5-diene;yttrium
PubChem CID58489253
Molecular FormulaC7H10Y-2
Molecular Weight183.06 g/mol
Exact Mass182.99
IUPAC Name3-methylhexa-1,5-diene;yttrium
SMILESC=[C-]CC(C)[C-]=C.[Y]
InChIInChI=1S/C7H10.Y/c1-4-6-7(3)5-2;/h7H,1-2,6H2,3H3;/q-2;
InChIKeyMWIXMNBKYNBRNC-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methylhexa-1,5-diene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 57712474
CID 57712474
Carbanide;4-methylpent-1-ene;yttrium
CID 58057468
Carbanide;4-methylpent-1-ene;tridecakis(yttrium)
CID 59390262
2,3-Dimethylpenta-1,4-diene;yttrium
CID 59888483
4-Methylpent-1-ene;bis(yttrium)
CID 59973469
CID 91066715
CID 91066715
CID 91200523
CID 91200523
4-Methylpent-1-ene;yttrium
CID 146916252
CID 174031281
CID 174031281

Frequently Asked Questions

What is the IUPAC name of 3-methylhexa-1,5-diene;yttrium?
The IUPAC name of 3-methylhexa-1,5-diene;yttrium (CID 58489253) is 3-methylhexa-1,5-diene;yttrium.
What is the SMILES notation for 3-methylhexa-1,5-diene;yttrium?
The canonical SMILES for 3-methylhexa-1,5-diene;yttrium is C=[C-]CC(C)[C-]=C.[Y].
What is the InChIKey of 3-methylhexa-1,5-diene;yttrium?
The InChIKey is MWIXMNBKYNBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.Y/c1-4-6-7(3)5-2;/h7H,1-2,6H2,3H3;/q-2;.
What are the key properties of 3-methylhexa-1,5-diene;yttrium?
3-methylhexa-1,5-diene;yttrium has a molecular weight of 183.06 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexa-1,5-diene;yttrium is sourced from PubChem (CID 58489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).