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

C36H73O5Ti2- — CID 162294570

IUPACcarbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti]
InChIInChI=1S/C10H12O2.2C10H20.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;2*1-6-7(2)9(4)10(5)8(6)3;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;2*6-10H,1-5H3;3*2H,1H3;3*1H3;;/q;;;;;;3*-1;;+2
InChIKeyNUPCOBIPYHUFIE-UHFFFAOYSA-N
MW681.71 g/mol
LogP8.29
Rot. Bonds

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

carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) (PubChem CID 162294570) has the molecular formula C36H73O5Ti2- and a molecular weight of 681.71 g/mol. Its IUPAC name is carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+).

Molecular Properties

Compound Namecarbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
PubChem CID162294570
Molecular FormulaC36H73O5Ti2-
Molecular Weight681.71 g/mol
Exact Mass681.44
IUPAC Namecarbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti]
InChIInChI=1S/C10H12O2.2C10H20.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;2*1-6-7(2)9(4)10(5)8(6)3;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;2*6-10H,1-5H3;3*2H,1H3;3*1H3;;/q;;;;;;3*-1;;+2
InChIKeyNUPCOBIPYHUFIE-UHFFFAOYSA-N
XLogP8.29
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.71
LogP ≤ 58.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;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

Related Compounds

carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 140933699
5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982641
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105476149
(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
CID 156581883
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
CID 60730702
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 29078137

Frequently Asked Questions

What is the IUPAC name of carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The IUPAC name of carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) (CID 162294570) is carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+).
What is the SMILES notation for carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The canonical SMILES for carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) is CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti].
What is the InChIKey of carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The InChIKey is NUPCOBIPYHUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.2C10H20.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;2*1-6-7(2)9(4)10(5)8(6)3;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;2*6-10H,1-5H3;3*2H,1H3;3*1H3;;/q;;;;;;3*-1;;+2.
What are the key properties of carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) has a molecular weight of 681.71 g/mol, XLogP of 8.29, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) is sourced from PubChem (CID 162294570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).