3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium

C13H21Y- — CID 59958059

IUPAC3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium
SMILESCC(C)/C=C/C1=[C-]C(C)CCC1C.[Y]
InChIInChI=1S/C13H21.Y/c1-10(2)5-8-13-9-11(3)6-7-12(13)4;/h5,8,10-12H,6-7H2,1-4H3;/q-1;/b8-5+;
InChIKeyYDTYIFDXFWLNCN-HAAWTFQLSA-N
MW266.22 g/mol
LogP3.99
Rot. Bonds2

About 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium

3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium (PubChem CID 59958059) has the molecular formula C13H21Y- and a molecular weight of 266.22 g/mol. Its IUPAC name is 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium.

Molecular Properties

Compound Name3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium
PubChem CID59958059
Molecular FormulaC13H21Y-
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium
SMILESCC(C)/C=C/C1=[C-]C(C)CCC1C.[Y]
InChIInChI=1S/C13H21.Y/c1-10(2)5-8-13-9-11(3)6-7-12(13)4;/h5,8,10-12H,6-7H2,1-4H3;/q-1;/b8-5+;
InChIKeyYDTYIFDXFWLNCN-HAAWTFQLSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium?
The IUPAC name of 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium (CID 59958059) is 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium.
What is the SMILES notation for 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium?
The canonical SMILES for 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium is CC(C)/C=C/C1=[C-]C(C)CCC1C.[Y].
What is the InChIKey of 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium?
The InChIKey is YDTYIFDXFWLNCN-HAAWTFQLSA-N. The full InChI is InChI=1S/C13H21.Y/c1-10(2)5-8-13-9-11(3)6-7-12(13)4;/h5,8,10-12H,6-7H2,1-4H3;/q-1;/b8-5+;.
What are the key properties of 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium?
3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium has a molecular weight of 266.22 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[(E)-3-methylbut-1-enyl]cyclohexene;yttrium is sourced from PubChem (CID 59958059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).