carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)

C22H46Ti+2 — CID 23231302

IUPACcarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C10H20.2CH3.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*6-10H,1-5H3;2*1H3;/q;;2*-1;+4
InChIKeyYNCVWTCVCKUDIR-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.26
Rot. Bonds

About carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)

carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) (PubChem CID 23231302) has the molecular formula C22H46Ti+2 and a molecular weight of 358.48 g/mol. Its IUPAC name is carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
PubChem CID23231302
Molecular FormulaC22H46Ti+2
Molecular Weight358.48 g/mol
Exact Mass358.31
IUPAC Namecarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C10H20.2CH3.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*6-10H,1-5H3;2*1H3;/q;;2*-1;+4
InChIKeyYNCVWTCVCKUDIR-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) with MolForge

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

Launch Full Analysis

Related Compounds

carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957
(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
CID 162297187
CID 162297187
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796
2,4,6,8,9,10-hexamethyladamantane
CID 58325503

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)?
The IUPAC name of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) (CID 23231302) is carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+).
What is the SMILES notation for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)?
The canonical SMILES for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) is CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)?
The InChIKey is YNCVWTCVCKUDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.2CH3.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*6-10H,1-5H3;2*1H3;/q;;2*-1;+4.
What are the key properties of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)?
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) has a molecular weight of 358.48 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+) is sourced from PubChem (CID 23231302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).