(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride

C12H21Cl2OSiTi — CID 173207924

IUPAC(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride
SMILESCCCOC(C[SiH](C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H21OSi.2ClH.Ti/c1-4-9-13-12(10-14(2)3)11-7-5-6-8-11;;;/h5,7,12,14H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKILVICUEGSNQEB-UHFFFAOYSA-L
MW328.16 g/mol
LogP-3.04
Rot. Bonds6

About (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride

(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride (PubChem CID 173207924) has the molecular formula C12H21Cl2OSiTi and a molecular weight of 328.16 g/mol. Its IUPAC name is (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride
PubChem CID173207924
Molecular FormulaC12H21Cl2OSiTi
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride
SMILESCCCOC(C[SiH](C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H21OSi.2ClH.Ti/c1-4-9-13-12(10-14(2)3)11-7-5-6-8-11;;;/h5,7,12,14H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKILVICUEGSNQEB-UHFFFAOYSA-L
XLogP-3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 5-3.04
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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Related Compounds

[2-(1-Methoxyethyl)cyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 18766820
2-(1-Propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride
CID 87975764
2-(1-Propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
CID 87975768
Cyclopenta-1,4-dien-1-yl-dimethyl-[2-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-yl]silane;titanium(3+);dichloride
CID 87975800
Cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-propan-2-yloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride
CID 87975849
Cyclopenta-1,4-dien-1-yl-(1-ethoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975893
Cyclopenta-1,4-dien-1-yl-(1-ethoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975900
Cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975953
Cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87976234
Cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-propoxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87976249
2-(1-Propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride
CID 87976259
2-(1-Propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium;dihydrochloride
CID 87976262

Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride (CID 173207924) is (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride is CCCOC(C[SiH](C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride?
The InChIKey is KILVICUEGSNQEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H21OSi.2ClH.Ti/c1-4-9-13-12(10-14(2)3)11-7-5-6-8-11;;;/h5,7,12,14H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride?
(2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride has a molecular weight of 328.16 g/mol, XLogP of -3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 173207924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).