tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))

C72H140O4Ti2 — CID 20838913

IUPACtetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
SMILESCCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].[Ti+2].[Ti+2]
InChIInChI=1S/4C18H35O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h4*9-10H,2-8,11-18H2,1H3;;/q4*-1;2*+2/b4*10-9-;;
InChIKeyZQQKUHRKNFUGCJ-HVBBXQNNSA-N
MW1165.64 g/mol
LogP21.53
Rot. Bonds60

About tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))

tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)) (PubChem CID 20838913) has the molecular formula C72H140O4Ti2 and a molecular weight of 1165.64 g/mol. Its IUPAC name is tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)).

Molecular Properties

Compound Nametetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
PubChem CID20838913
Molecular FormulaC72H140O4Ti2
Molecular Weight1165.64 g/mol
Exact Mass1164.97
IUPAC Nametetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
SMILESCCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].[Ti+2].[Ti+2]
InChIInChI=1S/4C18H35O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h4*9-10H,2-8,11-18H2,1H3;;/q4*-1;2*+2/b4*10-9-;;
InChIKeyZQQKUHRKNFUGCJ-HVBBXQNNSA-N
XLogP21.53
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds60
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.64
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium (Z)-octadec-9-en-1-olate
CID 135077819
(E)-nonacos-10-ene
CID 14367300
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))?
The IUPAC name of tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)) (CID 20838913) is tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)).
What is the SMILES notation for tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))?
The canonical SMILES for tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)) is CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].CCCCCCCC/C=C\CCCCCCCC[O-].[Ti+2].[Ti+2].
What is the InChIKey of tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))?
The InChIKey is ZQQKUHRKNFUGCJ-HVBBXQNNSA-N. The full InChI is InChI=1S/4C18H35O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h4*9-10H,2-8,11-18H2,1H3;;/q4*-1;2*+2/b4*10-9-;;.
What are the key properties of tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))?
tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)) has a molecular weight of 1165.64 g/mol, XLogP of 21.53, 60 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+)) is sourced from PubChem (CID 20838913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).