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

C16H33O5Ti2- — CID 20637491

IUPACcarbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
SMILESCO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti]
InChIInChI=1S/C10H12O2.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;3*2H,1H3;3*1H3;;/q;;;;3*-1;;+2
InChIKeyGMEFHWCAFQHSPY-UHFFFAOYSA-N
MW401.17 g/mol
LogP1.93
Rot. Bonds

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

carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) (PubChem CID 20637491) has the molecular formula C16H33O5Ti2- and a molecular weight of 401.17 g/mol. Its IUPAC name is carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+).

Molecular Properties

Compound Namecarbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
PubChem CID20637491
Molecular FormulaC16H33O5Ti2-
Molecular Weight401.17 g/mol
Exact Mass401.13
IUPAC Namecarbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
SMILESCO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti]
InChIInChI=1S/C10H12O2.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;3*2H,1H3;3*1H3;;/q;;;;3*-1;;+2
InChIKeyGMEFHWCAFQHSPY-UHFFFAOYSA-N
XLogP1.93
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.17
LogP ≤ 51.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 162294570
(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
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
CID 156581883
[(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
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
CID 60730702
(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 29078137
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410311
5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456542

Frequently Asked Questions

What is the IUPAC name of carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The IUPAC name of carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) (CID 20637491) is carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+).
What is the SMILES notation for carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The canonical SMILES for carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) is CO.CO.CO.Oc1cccc2c1CCCC2O.[CH3-].[CH3-].[CH3-].[Ti+2].[Ti].
What is the InChIKey of carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
The InChIKey is GMEFHWCAFQHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.3CH4O.3CH3.2Ti/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;3*1-2;;;;;/h1,3,5,10-12H,2,4,6H2;3*2H,1H3;3*1H3;;/q;;;;3*-1;;+2.
What are the key properties of carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)?
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) has a molecular weight of 401.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+) is sourced from PubChem (CID 20637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).