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

C18H28OSi — CID 18622648

IUPAC4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
SMILESCC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C18H28OSi/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4/h5-8,10,12H,9,11,13-15H2,1-4H3
InChIKeyWNMPPSLSOTYEQF-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.40
Rot. Bonds7

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

4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane (PubChem CID 18622648) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane.

Molecular Properties

Compound Name4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
PubChem CID18622648
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
SMILESCC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C18H28OSi/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4/h5-8,10,12H,9,11,13-15H2,1-4H3
InChIKeyWNMPPSLSOTYEQF-UHFFFAOYSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane?
The IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane (CID 18622648) is 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane.
What is the SMILES notation for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane?
The canonical SMILES for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane is CC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane?
The InChIKey is WNMPPSLSOTYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4/h5-8,10,12H,9,11,13-15H2,1-4H3.
What are the key properties of 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane?
4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane is sourced from PubChem (CID 18622648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).