1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride

C11H21Cl2OSiTi- — CID 87975734

IUPAC1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride
SMILESCCO[Si](C)(C)C(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-5-12-13(3,4)10(2)11-8-6-7-9-11;;;/h6,8,10H,5,7H2,1-4H3;2*1H;/q-1;;;
InChIKeyPPOWXTPMCUAPDX-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.15
Rot. Bonds4

About 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride

1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride (PubChem CID 87975734) has the molecular formula C11H21Cl2OSiTi- and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride
PubChem CID87975734
Molecular FormulaC11H21Cl2OSiTi-
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Name1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride
SMILESCCO[Si](C)(C)C(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-5-12-13(3,4)10(2)11-8-6-7-9-11;;;/h6,8,10H,5,7H2,1-4H3;2*1H;/q-1;;;
InChIKeyPPOWXTPMCUAPDX-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride?
The IUPAC name of 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride (CID 87975734) is 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride is CCO[Si](C)(C)C(C)C1=[C-]CC=C1.Cl.Cl.[Ti].
What is the InChIKey of 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride?
The InChIKey is PPOWXTPMCUAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-5-12-13(3,4)10(2)11-8-6-7-9-11;;;/h6,8,10H,5,7H2,1-4H3;2*1H;/q-1;;;.
What are the key properties of 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride?
1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride has a molecular weight of 316.15 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride is sourced from PubChem (CID 87975734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).