3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane

C18H28OSi — CID 86213014

IUPAC3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C18H28OSi/c1-5-18(16-10-6-7-11-16,17-12-8-9-13-17)14-15-19-20(2,3)4/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyHTAMRQDUGPHEFM-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.11
Rot. Bonds7

About 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane

3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane (PubChem CID 86213014) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane.

Molecular Properties

Compound Name3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane
PubChem CID86213014
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C18H28OSi/c1-5-18(16-10-6-7-11-16,17-12-8-9-13-17)14-15-19-20(2,3)4/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyHTAMRQDUGPHEFM-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
2,2-Bis(cyclopentadienyl)-5-trimethylsiloxypentane
CID 12095357
4,4-Di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
CID 18622648
3,3-Di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
CID 18622770
3,3-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622818
3-Cyclopenta-2,4-dien-1-ylpropoxy(trimethyl)silane
CID 23303779
4,4-Di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
CID 86212923
3,3-Di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
CID 86212938
2,2-Bis(cyclopentadienyl)-5-trimethylsiloxypentane zirconium dichloride
CID 131723810
2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt
CID 131723811
[3,3-Di(cyclopenta-2,4-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 141585244
[2,2-Di(cyclopenta-2,4-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 141585264

Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane?
The IUPAC name of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane (CID 86213014) is 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane.
What is the SMILES notation for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane?
The canonical SMILES for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane is CCC(CCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane?
The InChIKey is HTAMRQDUGPHEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-5-18(16-10-6-7-11-16,17-12-8-9-13-17)14-15-19-20(2,3)4/h6-13,16-17H,5,14-15H2,1-4H3.
What are the key properties of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane?
3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane is sourced from PubChem (CID 86213014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).