tetrakis(3-methanidylhept-3-ene);titanium(4+)

C32H60Ti — CID 173169772

IUPACtetrakis(3-methanidylhept-3-ene);titanium(4+)
SMILES[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[Ti+4]
InChIInChI=1S/4C8H15.Ti/c4*1-4-6-7-8(3)5-2;/h4*7H,3-6H2,1-2H3;/q4*-1;+4
InChIKeyWYMYQEODVKIMMP-UHFFFAOYSA-N
MW492.70 g/mol
LogP11.83
Rot. Bonds12

About tetrakis(3-methanidylhept-3-ene);titanium(4+)

tetrakis(3-methanidylhept-3-ene);titanium(4+) (PubChem CID 173169772) has the molecular formula C32H60Ti and a molecular weight of 492.70 g/mol. Its IUPAC name is tetrakis(3-methanidylhept-3-ene);titanium(4+).

Molecular Properties

Compound Nametetrakis(3-methanidylhept-3-ene);titanium(4+)
PubChem CID173169772
Molecular FormulaC32H60Ti
Molecular Weight492.70 g/mol
Exact Mass492.42
IUPAC Nametetrakis(3-methanidylhept-3-ene);titanium(4+)
SMILES[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[Ti+4]
InChIInChI=1S/4C8H15.Ti/c4*1-4-6-7-8(3)5-2;/h4*7H,3-6H2,1-2H3;/q4*-1;+4
InChIKeyWYMYQEODVKIMMP-UHFFFAOYSA-N
XLogP11.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.70
LogP ≤ 511.83
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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Related Compounds

pent-1-ene-1,1-diol
CID 21473005
CID 154668407
CID 154668407
tetrakis(8-ethoxyocta-1,6-diene);tetrakis(3-methanidylhept-3-ene);tetrakis(octa-1,6-diene);tris(titanium(2+))
CID 87877508
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
1-iodopent-1-en-1-ol
CID 154405328
(E)-2-chlorohex-2-ene
CID 19796923
[(E)-hex-2-en-2-yl]cyclopropane
CID 23063598
4-ethyl-3-methylideneoct-4-ene
CID 54376139
1-bromo-1-chloropent-1-ene
CID 535956
(Z)-2-bromohex-2-en-1-ol
CID 23238559

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-methanidylhept-3-ene);titanium(4+)?
The IUPAC name of tetrakis(3-methanidylhept-3-ene);titanium(4+) (CID 173169772) is tetrakis(3-methanidylhept-3-ene);titanium(4+).
What is the SMILES notation for tetrakis(3-methanidylhept-3-ene);titanium(4+)?
The canonical SMILES for tetrakis(3-methanidylhept-3-ene);titanium(4+) is [CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[CH2-]C(=CCCC)CC.[Ti+4].
What is the InChIKey of tetrakis(3-methanidylhept-3-ene);titanium(4+)?
The InChIKey is WYMYQEODVKIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H15.Ti/c4*1-4-6-7-8(3)5-2;/h4*7H,3-6H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(3-methanidylhept-3-ene);titanium(4+)?
tetrakis(3-methanidylhept-3-ene);titanium(4+) has a molecular weight of 492.70 g/mol, XLogP of 11.83, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-methanidylhept-3-ene);titanium(4+) is sourced from PubChem (CID 173169772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).