ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium

C13H25Y- — CID 177140629

IUPACethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
SMILESC=[C-]/C=C\C(=C)C(C)C.CC.CC.[Y]
InChIInChI=1S/C9H13.2C2H6.Y/c1-5-6-7-9(4)8(2)3;2*1-2;/h6-8H,1,4H2,2-3H3;2*1-2H3;/q-1;;;/b7-6-;;;
InChIKeyQUDBBNLEALOGSQ-YYFHNNNUSA-N
MW270.25 g/mol
LogP4.79
Rot. Bonds3

About ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium

ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium (PubChem CID 177140629) has the molecular formula C13H25Y- and a molecular weight of 270.25 g/mol. Its IUPAC name is ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium.

Molecular Properties

Compound Nameethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
PubChem CID177140629
Molecular FormulaC13H25Y-
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Nameethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
SMILESC=[C-]/C=C\C(=C)C(C)C.CC.CC.[Y]
InChIInChI=1S/C9H13.2C2H6.Y/c1-5-6-7-9(4)8(2)3;2*1-2;/h6-8H,1,4H2,2-3H3;2*1-2H3;/q-1;;;/b7-6-;;;
InChIKeyQUDBBNLEALOGSQ-YYFHNNNUSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 54.79
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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Related Compounds

O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
CID 145388588
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185
(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
CID 166146875
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
CID 144536498
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
[(3Z,7Z)-10-methyl-5,6,9-trimethylideneundeca-1,3,7-trien-2-yl] cyanate
CID 166529302
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-enyl]hydrazine
CID 155262112
N-[(Z)-but-2-en-2-yl]-3-methyl-2-methylidenebutan-1-imine
CID 134226025

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium?
The IUPAC name of ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium (CID 177140629) is ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium.
What is the SMILES notation for ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium?
The canonical SMILES for ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium is C=[C-]/C=C\C(=C)C(C)C.CC.CC.[Y].
What is the InChIKey of ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium?
The InChIKey is QUDBBNLEALOGSQ-YYFHNNNUSA-N. The full InChI is InChI=1S/C9H13.2C2H6.Y/c1-5-6-7-9(4)8(2)3;2*1-2;/h6-8H,1,4H2,2-3H3;2*1-2H3;/q-1;;;/b7-6-;;;.
What are the key properties of ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium?
ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium has a molecular weight of 270.25 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium is sourced from PubChem (CID 177140629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).