carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)

C11H22O4Ti+2 — CID 58679673

IUPACcarbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)
SMILES[CH3-].[CH3-].[H]/[O+]=C(C)/C=C(/C)O.[H]/[O+]=C/C=C(C)O.[Ti+2]
InChIInChI=1S/C5H8O2.C4H6O2.2CH3.Ti/c1-4(6)3-5(2)7;1-4(6)2-3-5;;;/h3,6H,1-2H3;2-3,6H,1H3;2*1H3;/q;;2*-1;+2/p+2/b4-3-;;;;
InChIKeyUUJZGVMJBDSFGR-PHSMJEINSA-P
MW266.16 g/mol
LogP2.53
Rot. Bonds2

About carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)

carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) (PubChem CID 58679673) has the molecular formula C11H22O4Ti+2 and a molecular weight of 266.16 g/mol. Its IUPAC name is carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+).

Molecular Properties

Compound Namecarbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)
PubChem CID58679673
Molecular FormulaC11H22O4Ti+2
Molecular Weight266.16 g/mol
Exact Mass266.10
IUPAC Namecarbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)
SMILES[CH3-].[CH3-].[H]/[O+]=C(C)/C=C(/C)O.[H]/[O+]=C/C=C(C)O.[Ti+2]
InChIInChI=1S/C5H8O2.C4H6O2.2CH3.Ti/c1-4(6)3-5(2)7;1-4(6)2-3-5;;;/h3,6H,1-2H3;2-3,6H,1H3;2*1H3;/q;;2*-1;+2/p+2/b4-3-;;;;
InChIKeyUUJZGVMJBDSFGR-PHSMJEINSA-P
XLogP2.53
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)?
The IUPAC name of carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) (CID 58679673) is carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+).
What is the SMILES notation for carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)?
The canonical SMILES for carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) is [CH3-].[CH3-].[H]/[O+]=C(C)/C=C(/C)O.[H]/[O+]=C/C=C(C)O.[Ti+2].
What is the InChIKey of carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)?
The InChIKey is UUJZGVMJBDSFGR-PHSMJEINSA-P. The full InChI is InChI=1S/C5H8O2.C4H6O2.2CH3.Ti/c1-4(6)3-5(2)7;1-4(6)2-3-5;;;/h3,6H,1-2H3;2-3,6H,1H3;2*1H3;/q;;2*-1;+2/p+2/b4-3-;;;;.
What are the key properties of carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+)?
carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) has a molecular weight of 266.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-hydroxybut-2-enylideneoxidanium;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;titanium(2+) is sourced from PubChem (CID 58679673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).