(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium

C14H25OSiTi- — CID 173246772

IUPAC(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium
SMILESCCCCOC(CC[SiH](C)C)C1=[C-]CC=C1.[Ti]
InChIInChI=1S/C14H25OSi.Ti/c1-4-5-11-15-14(10-12-16(2)3)13-8-6-7-9-13;/h6,8,14,16H,4-5,7,10-12H2,1-3H3;/q-1;
InChIKeyKCDPGVAGASEHFA-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.74
Rot. Bonds8

About (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium

(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium (PubChem CID 173246772) has the molecular formula C14H25OSiTi- and a molecular weight of 285.31 g/mol. Its IUPAC name is (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium.

Molecular Properties

Compound Name(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium
PubChem CID173246772
Molecular FormulaC14H25OSiTi-
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium
SMILESCCCCOC(CC[SiH](C)C)C1=[C-]CC=C1.[Ti]
InChIInChI=1S/C14H25OSi.Ti/c1-4-5-11-15-14(10-12-16(2)3)13-8-6-7-9-13;/h6,8,14,16H,4-5,7,10-12H2,1-3H3;/q-1;
InChIKeyKCDPGVAGASEHFA-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium?
The IUPAC name of (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium (CID 173246772) is (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium.
What is the SMILES notation for (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium?
The canonical SMILES for (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium is CCCCOC(CC[SiH](C)C)C1=[C-]CC=C1.[Ti].
What is the InChIKey of (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium?
The InChIKey is KCDPGVAGASEHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25OSi.Ti/c1-4-5-11-15-14(10-12-16(2)3)13-8-6-7-9-13;/h6,8,14,16H,4-5,7,10-12H2,1-3H3;/q-1;.
What are the key properties of (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium?
(3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium has a molecular weight of 285.31 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxy-3-cyclopenta-1,4-dien-1-ylpropyl)-dimethylsilane;titanium is sourced from PubChem (CID 173246772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).