(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium

C15H29Y- — CID 58666238

IUPAC(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium
SMILESC[C-](C)C(C)(C)/C=C\C(C)(C)C(C)(C)C.[Y]
InChIInChI=1S/C15H29.Y/c1-12(2)14(6,7)10-11-15(8,9)13(3,4)5;/h10-11H,1-9H3;/q-1;/b11-10-;
InChIKeyJUHMOZDWCFYRQO-GMFCBQQYSA-N
MW298.30 g/mol
LogP5.25
Rot. Bonds3

About (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium

(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium (PubChem CID 58666238) has the molecular formula C15H29Y- and a molecular weight of 298.30 g/mol. Its IUPAC name is (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium.

Molecular Properties

Compound Name(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium
PubChem CID58666238
Molecular FormulaC15H29Y-
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium
SMILESC[C-](C)C(C)(C)/C=C\C(C)(C)C(C)(C)C.[Y]
InChIInChI=1S/C15H29.Y/c1-12(2)14(6,7)10-11-15(8,9)13(3,4)5;/h10-11H,1-9H3;/q-1;/b11-10-;
InChIKeyJUHMOZDWCFYRQO-GMFCBQQYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.30
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5,6,6-tetramethylhept-3-en-2-one
CID 12612667
(Z)-2,2,4,4,7,7,8,8-octamethylnon-5-enamide
CID 144603472
2,2,3-trimethylbutane;tungsten
CID 159038811
bis(2-methanidyl-2-methylpropane);bis(2-methylpropane);bis(yttrium)
CID 165071362
2,3,3-trimethylpent-4-en-2-ylsilane
CID 175326374
2,2-dimethyl-1-N,1-N'-bis(prop-2-enyl)-1-silylpropane-1,1-diamine
CID 173002811
ethane;prop-1-ene;2,2,3,3-tetramethylbutane
CID 153390024
(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene
CID 142837463
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
CID 5365072
1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium
CID 59890611
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
pent-3-ene-2,2-diamine
CID 154022958

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium?
The IUPAC name of (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium (CID 58666238) is (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium.
What is the SMILES notation for (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium?
The canonical SMILES for (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium is C[C-](C)C(C)(C)/C=C\C(C)(C)C(C)(C)C.[Y].
What is the InChIKey of (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium?
The InChIKey is JUHMOZDWCFYRQO-GMFCBQQYSA-N. The full InChI is InChI=1S/C15H29.Y/c1-12(2)14(6,7)10-11-15(8,9)13(3,4)5;/h10-11H,1-9H3;/q-1;/b11-10-;.
What are the key properties of (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium?
(Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium has a molecular weight of 298.30 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3,3,6,6,7-heptamethyloct-4-ene;yttrium is sourced from PubChem (CID 58666238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).