bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate

C30H42OTi2-8 — CID 11986886

IUPACbis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.O.[Ti].[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C10H15.2C5H5.H2O.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;;;/h2*1-5H3;2*1-5H;1H2;;/q-5;3*-1;;;
InChIKeyDGDXALVGLUDNEU-UHFFFAOYSA-N
MW514.40 g/mol
LogP7.88
Rot. Bonds

About bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate

bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate (PubChem CID 11986886) has the molecular formula C30H42OTi2-8 and a molecular weight of 514.40 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate
PubChem CID11986886
Molecular FormulaC30H42OTi2-8
Molecular Weight514.40 g/mol
Exact Mass514.22
IUPAC Namebis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.O.[Ti].[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C10H15.2C5H5.H2O.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;;;/h2*1-5H3;2*1-5H;1H2;;/q-5;3*-1;;;
InChIKeyDGDXALVGLUDNEU-UHFFFAOYSA-N
XLogP7.88
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.40
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate?
The IUPAC name of bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate (CID 11986886) is bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate.
What is the SMILES notation for bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate?
The canonical SMILES for bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate is C[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.O.[Ti].[Ti].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate?
The InChIKey is DGDXALVGLUDNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2C5H5.H2O.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;;;/h2*1-5H3;2*1-5H;1H2;;/q-5;3*-1;;;.
What are the key properties of bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate?
bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate has a molecular weight of 514.40 g/mol, XLogP of 7.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate is sourced from PubChem (CID 11986886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).